5,5-diethyl-1,3-diazinane-2,4,6-trione | MolMeDB

5,5-diethyl-1,3-diazinane-2,4,6-trione

2D Structure

3D Structure

Source:

General
Identifier	MM00836
SMILES	CCC1(CC)C(=O)NC(=O)NC1=O Presented in the original dataset.
InChIKey	FTOAOBMCPZCFFF-UHFFFAOYSA-N Automatically obtained from RDkit software.
MW [Da]	184.2 Automatically obtained from RDkit software.
LogP	0.16 Automatically obtained from RDkit software.

Links
PubChem	2294 Presented in the original dataset.
DrugBank	DB01483 Presented in the original dataset.
ChEBI	31252 Presented in the original dataset.
PDB	N/A
ChEMBL	CHEMBL444 Presented in the original dataset.

Similar entries

5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione

Similarity: 0.8295

Similarity to 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione

Tanimoto metric	0.8295
Cosine metric	0.9108
Dice metric	0.9068

Total passive interactions

5,5-diethyl-1,3-diazinane-2,4,6-trione	7
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione	5

Total active interactions

5,5-diethyl-1,3-diazinane-2,4,6-trione	0
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione	0

5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione

Similarity: 0.8111

Similarity to 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione

Tanimoto metric	0.8111
Cosine metric	0.9006
Dice metric	0.8957

Total passive interactions

5,5-diethyl-1,3-diazinane-2,4,6-trione	7
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione	7

Total active interactions

5,5-diethyl-1,3-diazinane-2,4,6-trione	0
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione	0

Similarity: 0.7337

Similarity to Pentobarbital

Tanimoto metric	0.7337
Cosine metric	0.8565
Dice metric	0.8464

Total passive interactions

5,5-diethyl-1,3-diazinane-2,4,6-trione	7
Pentobarbital	0

Total active interactions

5,5-diethyl-1,3-diazinane-2,4,6-trione	0
Pentobarbital	1

+2 more

No data

Methods

Computed

Q-based

QSAR

No data

No transporter data found.

Data downloader (...)

Chosen membranes (0)

Chosen methods (0)

Chosen molecules (0)