MMsINC Database Search


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MMsINC code: MMs00589877

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C(Nc1cc(ccc1)C(=O)N)c1cc(ccc1)C

InChI:

InChI=1/C15H14N2O2/c1-10-4-2-6-12(8-10)15(19)17-13-7-3-5-11(9-13)14(16)18/h2-9H,1H3,(H2,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1345 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.08091	SlogP: 2.34622	Reactive groups: 0

Topological Properties
Globularity: 0.0198514	Sterimol/B1: 2.52058	Sterimol/B2: 2.66985	Sterimol/B3: 3.18503
Sterimol/B4: 6.21814	Sterimol/L: 15.009

Surface and Volume Properties
Accessible surface: 490.005	Positive charged surface: 274.827	Negative charged surface: 215.178	Volume: 247
Hydrophobic surface: 348.59	Hydrophilic surface: 141.415

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.