MMsINC Database Search


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MMsINC code: MMs01314045

Type: Neutral
Formula: C₂₂H₁₇ClN₂O₂

SMILES:

Clc1ccccc1CN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H17ClN2O2/c23-19-14-8-7-9-16(19)15-25-20(26)22(24-21(25)27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1448 kcal/mol

Physical Properties
Molecular Weight: 376.843 g/mol	logS: -6.07248	SlogP: 4.9135	Reactive groups: 0

Topological Properties
Globularity: 0.19525	Sterimol/B1: 2.81748	Sterimol/B2: 4.10561	Sterimol/B3: 4.76967
Sterimol/B4: 8.31846	Sterimol/L: 15.2303

Surface and Volume Properties
Accessible surface: 586.132	Positive charged surface: 299.938	Negative charged surface: 286.194	Volume: 346.25
Hydrophobic surface: 520.238	Hydrophilic surface: 65.894

Pharmacophoric Properties
Hydrogen bond donors: 1	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.