ID: ALA98396

Max Phase: Preclinical

Molecular Formula: C16H10O3

Molecular Weight: 250.25

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=C(O)C1=C(c2ccccc2)c2ccccc2C1=O

Standard InChI:  InChI=1S/C16H10O3/c17-15-12-9-5-4-8-11(12)13(14(15)16(18)19)10-6-2-1-3-7-10/h1-9H,(H,18,19)

Standard InChI Key:  HKYGBNDDWDZUHI-UHFFFAOYSA-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: 250.25

Molecular Weight (Monoisotopic): 250.0630

AlogP: 2.77

#Rotatable Bonds: 2

Polar Surface Area: 54.37

Molecular Species: ACID

HBA: 2

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 4.93

CX Basic pKa:

CX LogP: 2.94

CX LogD: 0.50

Aromatic Rings: 2

Heavy Atoms: 19

QED Weighted: 0.83

Np Likeness Score: 0.34

References

1. Barvian M, Panek R, Lu G, Kraker A, Amar A, Hartl B, Hamby J, Showalter H.  (1997)  1-Oxo-3-aryl-1H-indene-2-carboxylic acid derivatives as selective inhibitors of fibroblast growth factor receptor-1 tyrosine kinase,  7  (22): [10.1016/S0960-894X(97)10110-X]

Source

Source(1):

• Scientific Literature