ID: ALA5271985

Max Phase: Preclinical

Molecular Formula: C16H12O3

Molecular Weight: 252.27

Representations

Canonical SMILES:  Cc1cc(=O)c2cc(Oc3ccccc3)ccc2o1

Standard InChI:  InChI=1S/C16H12O3/c1-11-9-15(17)14-10-13(7-8-16(14)18-11)19-12-5-3-2-4-6-12/h2-10H,1H3

Standard InChI Key:  DZJTVJGTZQRCHE-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 252.27

Molecular Weight (Monoisotopic): 252.0786

AlogP: 3.89

#Rotatable Bonds: 2

Polar Surface Area: 39.44

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 3.37

CX LogD: 3.37

Aromatic Rings: 3

Heavy Atoms: 19

QED Weighted: 0.69

Np Likeness Score: 0.06

References

1. Tripathi AC, Upadhyay S, Paliwal S, Saraf SK..  (2018)  Privileged scaffolds as MAO inhibitors: Retrospect and prospects.,  145  [PMID:29335210] [10.1016/j.ejmech.2018.01.003]

Source

Source(1):

• Scientific Literature