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MMsINC code: MMs02384799

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

OC(=O)\C(=N/Nc1ccccc1)\c1ccccc1

InChI:

InChI=1/C14H12N2O2/c17-14(18)13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H,17,18)/b16-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0932 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.30155	SlogP: 2.5874	Reactive groups: 0

Topological Properties
Globularity: 0.0325373	Sterimol/B1: 2.40653	Sterimol/B2: 2.77239	Sterimol/B3: 2.79996
Sterimol/B4: 8.01637	Sterimol/L: 13.834

Surface and Volume Properties
Accessible surface: 468.878	Positive charged surface: 252.174	Negative charged surface: 216.704	Volume: 230.375
Hydrophobic surface: 362.875	Hydrophilic surface: 106.003

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02384800
NCID-ZINC04403616