ID: ALA2207827

Max Phase: Preclinical

Molecular Formula: C17H13NO2

Molecular Weight: 263.30

Molecule Type: Small molecule

Representations

Canonical SMILES:  Oc1ccccc1/C=C/c1ccc2cccc(O)c2n1

Standard InChI:  InChI=1S/C17H13NO2/c19-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)18-14/h1-11,19-20H/b10-8+

Standard InChI Key:  ZYOPSESPYSZRDP-CSKARUKUSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 263.30

Molecular Weight (Monoisotopic): 263.0946

AlogP: 3.82

#Rotatable Bonds: 2

Polar Surface Area: 53.35

Molecular Species: NEUTRAL

HBA: 3

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 8.70

CX Basic pKa: 4.27

CX LogP: 4.10

CX LogD: 4.07

Aromatic Rings: 3

Heavy Atoms: 20

QED Weighted: 0.74

Np Likeness Score: -0.26

References

1. Cieslik W, Musiol R, Nycz JE, Jampilek J, Vejsova M, Wolff M, Machura B, Polanski J..  (2012)  Contribution to investigation of antimicrobial activity of styrylquinolines.,  20  (24): [PMID:23159041] [10.1016/j.bmc.2012.10.027]

Source

Source(1):

• Scientific Literature