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MMsINC code: MMs02375613

Type: Tautomer
Formula: C₁₅H₁₂N₂O₂

SMILES:

OC=1NN(C(=O)C=1c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H12N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h1-10,16,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4751 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.34046	SlogP: 2.4646	Reactive groups: 0

Topological Properties
Globularity: 0.0460259	Sterimol/B1: 3.24499	Sterimol/B2: 3.37094	Sterimol/B3: 3.46658
Sterimol/B4: 5.81432	Sterimol/L: 15.2676

Surface and Volume Properties
Accessible surface: 472.911	Positive charged surface: 259.732	Negative charged surface: 213.179	Volume: 239.75
Hydrophobic surface: 379.868	Hydrophilic surface: 93.043

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

search links for this molecule:

Parent related molecule:

MMs02375611
NCID-ZINC01868480