MMsINC Database Search


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MMsINC code: MMs00844838

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(Nc1ccccc1C(=O)NC)c1ccccc1C

InChI:

InChI=1/C16H16N2O2/c1-11-7-3-4-8-12(11)16(20)18-14-10-6-5-9-13(14)15(19)17-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6382 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.97492	SlogP: 2.60692	Reactive groups: 0

Topological Properties
Globularity: 0.0390243	Sterimol/B1: 2.12774	Sterimol/B2: 3.8273	Sterimol/B3: 4.02736
Sterimol/B4: 6.7008	Sterimol/L: 13.6826

Surface and Volume Properties
Accessible surface: 500.215	Positive charged surface: 324.925	Negative charged surface: 175.29	Volume: 263.875
Hydrophobic surface: 444.267	Hydrophilic surface: 55.948

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.