MMsINC Database Search


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MMsINC code: MMs00717407

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(Nc1ccccc1)C(=O)NCc1ccccc1C

InChI:

InChI=1/C16H16N2O2/c1-12-7-5-6-8-13(12)11-17-15(19)16(20)18-14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2151 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -4.00136	SlogP: 2.51632	Reactive groups: 0

Topological Properties
Globularity: 0.0792281	Sterimol/B1: 2.18636	Sterimol/B2: 2.24834	Sterimol/B3: 5.37087
Sterimol/B4: 5.68718	Sterimol/L: 16.4902

Surface and Volume Properties
Accessible surface: 529.314	Positive charged surface: 298.213	Negative charged surface: 231.101	Volume: 265.25
Hydrophobic surface: 432.113	Hydrophilic surface: 97.201

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.