MMsINC Database Search


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MMsINC code: MMs00743719

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(Nc1ccccc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C16H16N2O2/c1-12(13-8-4-2-5-9-13)17-15(19)16(20)18-14-10-6-3-7-11-14/h2-12H,1H3,(H,17,19)(H,18,20)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1721 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.85465	SlogP: 2.598	Reactive groups: 0

Topological Properties
Globularity: 0.0401901	Sterimol/B1: 2.20617	Sterimol/B2: 2.40391	Sterimol/B3: 4.3636
Sterimol/B4: 6.42104	Sterimol/L: 16.4555

Surface and Volume Properties
Accessible surface: 532.61	Positive charged surface: 294.603	Negative charged surface: 238.007	Volume: 265.75
Hydrophobic surface: 426.058	Hydrophilic surface: 106.552

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.