5-Phenylvaleric Acid | MolMeDB

5-Phenylvaleric Acid

2D Structure

3D Structure

Source:

General
Identifier	MM00097
SMILES	O=C(O)CCCCc1ccccc1 Presented in the original dataset.
InChIKey	BYHDDXPKOZIZRV-UHFFFAOYSA-N Automatically obtained from RDkit software.
MW [Da]	178.23 Automatically obtained from RDkit software.
LogP	2.48 Automatically obtained from RDkit software.

Links
PubChem	16757 Presented in the original dataset.
DrugBank	DB04051 Presented in the original dataset.
ChEBI	40131 Presented in the original dataset.
PDB	5PV Presented in the original dataset.
ChEMBL	CHEMBL443064 Presented in the original dataset.

Similar entries

7-Phenylheptanoic Acid

Similarity: 0.8272

Similarity to 7-Phenylheptanoic Acid

Tanimoto metric	0.8272
Cosine metric	0.9059
Dice metric	0.9054

Total passive interactions

5-Phenylvaleric Acid	7
7-Phenylheptanoic Acid	2

Total active interactions

5-Phenylvaleric Acid	0
7-Phenylheptanoic Acid	0

Phenylbutyric Acid

Similarity: 0.7346

Similarity to Phenylbutyric Acid

Tanimoto metric	0.7346
Cosine metric	0.8471
Dice metric	0.847

Total passive interactions

5-Phenylvaleric Acid	7
Phenylbutyric Acid	5

Total active interactions

5-Phenylvaleric Acid	0
Phenylbutyric Acid	0

4-Phenylbutylamine

Similarity: 0.6076

Similarity to 4-Phenylbutylamine

Tanimoto metric	0.6076
Cosine metric	0.762
Dice metric	0.7559

Total passive interactions

5-Phenylvaleric Acid	7
4-Phenylbutylamine	9

Total active interactions

5-Phenylvaleric Acid	0
4-Phenylbutylamine	0

+30 more

No data

Methods

Computed

Q-based

QSAR

Experimental

Partitioning

Permeability

No data

No transporter data found.

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Chosen membranes (0)

Chosen methods (0)

Chosen molecules (0)