MMsINC Database Search


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MMsINC code: MMs02128194

Type: Neutral
Formula: C₂₀H₁₇ClN₂O

SMILES:

Clc1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1cccnc1

InChI:

InChI=1/C20H17ClN2O/c21-19-10-8-18(9-11-19)20(24)23(14-16-5-2-1-3-6-16)15-17-7-4-12-22-13-17/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.263 kcal/mol

Physical Properties
Molecular Weight: 336.822 g/mol	logS: -4.43697	SlogP: 5.1104	Reactive groups: 0

Topological Properties
Globularity: 0.140845	Sterimol/B1: 3.05779	Sterimol/B2: 4.2737	Sterimol/B3: 4.59792
Sterimol/B4: 9.15367	Sterimol/L: 14.3793

Surface and Volume Properties
Accessible surface: 568.45	Positive charged surface: 292.83	Negative charged surface: 275.619	Volume: 322.75
Hydrophobic surface: 515.541	Hydrophilic surface: 52.909

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.