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MMsINC code: MMs02656756

Type: Tautomer
Formula: C₁₅H₁₃NO₂

SMILES:

O=C(C(C(=O)N)c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H13NO2/c16-15(18)13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10,13H,(H2,16,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7045 kcal/mol

Physical Properties
Molecular Weight: 239.274 g/mol	logS: -3.67228	SlogP: 2.1384	Reactive groups: 0

Topological Properties
Globularity: 0.152732	Sterimol/B1: 2.98473	Sterimol/B2: 3.58361	Sterimol/B3: 3.78041
Sterimol/B4: 5.38316	Sterimol/L: 14.0133

Surface and Volume Properties
Accessible surface: 456.487	Positive charged surface: 244.312	Negative charged surface: 212.176	Volume: 236
Hydrophobic surface: 351.091	Hydrophilic surface: 105.396

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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:

MMs02656753
PUBCHEM-ZINC00331456