MMsINC Database Search


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MMsINC code: MMs00277891

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C(N)c1cc(ccc1C(=O)N)-c1ccccc1

InChI:

InChI=1/C14H12N2O2/c15-13(17)11-7-6-10(8-12(11)14(16)18)9-4-2-1-3-5-9/h1-8H,(H2,15,17)(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3507 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -4.3155	SlogP: 1.5514	Reactive groups: 0

Topological Properties
Globularity: 0.0135303	Sterimol/B1: 2.5878	Sterimol/B2: 2.90409	Sterimol/B3: 4.20393
Sterimol/B4: 4.99069	Sterimol/L: 13.8769

Surface and Volume Properties
Accessible surface: 443.253	Positive charged surface: 237.747	Negative charged surface: 195.125	Volume: 228
Hydrophobic surface: 257.187	Hydrophilic surface: 186.066

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

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Ions/Tautomers related molecules: no related molecules available.