MMsINC Database Search


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MMsINC code: MMs02233966

Type: Neutral
Formula: C₁₅H₁₀N₂O₂

SMILES:

O=C1C=C(Nc2ccccc2)c2ncccc2C1=O

InChI:

InChI=1/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)14-11(15(13)19)7-4-8-16-14/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9652 kcal/mol

Physical Properties
Molecular Weight: 250.257 g/mol	logS: -3.20049	SlogP: 2.3	Reactive groups: 1

Topological Properties
Globularity: 0.118429	Sterimol/B1: 2.88334	Sterimol/B2: 4.01372	Sterimol/B3: 4.34182
Sterimol/B4: 5.69149	Sterimol/L: 12.6897

Surface and Volume Properties
Accessible surface: 445.089	Positive charged surface: 249.686	Negative charged surface: 195.403	Volume: 232.625
Hydrophobic surface: 326.855	Hydrophilic surface: 118.234

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.