MMsINC Database Search


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MMsINC code: MMs00728848

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

o1nc(cc1-c1ccccc1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C18H16N2O2/c1-20(13-14-8-4-2-5-9-14)18(21)16-12-17(22-19-16)15-10-6-3-7-11-15/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8032 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.38737	SlogP: 3.8802	Reactive groups: 0

Topological Properties
Globularity: 0.0551346	Sterimol/B1: 2.26762	Sterimol/B2: 3.69776	Sterimol/B3: 3.75508
Sterimol/B4: 6.96983	Sterimol/L: 16.8507

Surface and Volume Properties
Accessible surface: 536.025	Positive charged surface: 316.756	Negative charged surface: 219.269	Volume: 290.375
Hydrophobic surface: 483.822	Hydrophilic surface: 52.203

Pharmacophoric Properties
Hydrogen bond donors: 0	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.