ID: ALA5284180

Max Phase: Preclinical

Molecular Formula: C16H13NO2

Molecular Weight: 251.28

Representations

Canonical SMILES:  Cc1ccc(O)c(/C=C2\C(=O)Nc3ccccc32)c1

Standard InChI:  InChI=1S/C16H13NO2/c1-10-6-7-15(18)11(8-10)9-13-12-4-2-3-5-14(12)17-16(13)19/h2-9,18H,1H3,(H,17,19)/b13-9-

Standard InChI Key:  RZWUXOPMSYAGHL-LCYFTJDESA-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: 251.28

Molecular Weight (Monoisotopic): 251.0946

AlogP: 3.19

#Rotatable Bonds: 1

Polar Surface Area: 49.33

Molecular Species: NEUTRAL

HBA: 2

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 9.51

CX Basic pKa:

CX LogP: 3.48

CX LogD: 3.47

Aromatic Rings: 2

Heavy Atoms: 19

QED Weighted: 0.76

Np Likeness Score: -0.28

References

1. Kaur M, Singh M, Chadha N, Silakari O..  (2016)  Oxindole: A chemical prism carrying plethora of therapeutic benefits.,  123  [PMID:27543880] [10.1016/j.ejmech.2016.08.011]

Source

Source(1):

• Scientific Literature