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MMsINC code: MMs03168724

Type: Neutral
Formula: C₁₅H₁₃NO₂

SMILES:

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

InChI:

InChI=1/C15H13NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16H,(H,17,18)/b16-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7369 kcal/mol

Physical Properties
Molecular Weight: 239.274 g/mol	logS: -3.59032	SlogP: 2.92287	Reactive groups: 1

Topological Properties
Globularity: 0.282955	Sterimol/B1: 3.43235	Sterimol/B2: 3.46101	Sterimol/B3: 4.18746
Sterimol/B4: 6.63468	Sterimol/L: 11.5729

Surface and Volume Properties
Accessible surface: 449.47	Positive charged surface: 244.467	Negative charged surface: 205.003	Volume: 233.625
Hydrophobic surface: 326.353	Hydrophilic surface: 123.117

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

MMs03168725
PUBCHEM-ZINC04772223