Benzyl Alcohol | MolMeDB

Benzyl Alcohol

2D Structure

3D Structure

Source:

General
Identifier	MM00072
SMILES	OCc1ccccc1 Presented in the original dataset.
InChIKey	WVDDGKGOMKODPV-UHFFFAOYSA-N Automatically obtained from RDkit software.
MW [Da]	108.14 Automatically obtained from RDkit software.
LogP	1.18 Automatically obtained from RDkit software.

Links
PubChem	244 Presented in the original dataset.
DrugBank	DB06770 Presented in the original dataset.
ChEBI	17987 Presented in the original dataset.
PDB	010 Presented in the original dataset.
ChEMBL	CHEMBL720 Presented in the original dataset.

Similar entries

Similarity: 0.8052

Similarity to MM454614

Tanimoto metric	0.8052
Cosine metric	0.8973
Dice metric	0.8921

Total passive interactions

Benzyl Alcohol	6
MM454614	2

Total active interactions

Benzyl Alcohol	0
MM454614	0

Similarity: 0.5968

Similarity to Toluene

Tanimoto metric	0.5968
Cosine metric	0.7725
Dice metric	0.7475

Total passive interactions

Benzyl Alcohol	6
Toluene	5

Total active interactions

Benzyl Alcohol	0
Toluene	0

4-hydroxybenzyl Alcohol

Similarity: 0.5905

Similarity to 4-hydroxybenzyl Alcohol

Tanimoto metric	0.5905
Cosine metric	0.7684
Dice metric	0.7425

Total passive interactions

Benzyl Alcohol	6
4-hydroxybenzyl Alcohol	8

Total active interactions

Benzyl Alcohol	0
4-hydroxybenzyl Alcohol	0

+16 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)