MMsINC Database Search


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MMsINC code: MMs02794271

Type: Neutral
Formula: C₂₂H₂₀ClNO

SMILES:

Clc1cc(ccc1)CCC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H20ClNO/c23-20-13-7-8-17(16-20)14-15-21(25)24-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16,22H,14-15H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9329 kcal/mol

Physical Properties
Molecular Weight: 349.861 g/mol	logS: -5.74449	SlogP: 5.27387	Reactive groups: 0

Topological Properties
Globularity: 0.0978379	Sterimol/B1: 2.46743	Sterimol/B2: 3.68403	Sterimol/B3: 4.13191
Sterimol/B4: 9.05165	Sterimol/L: 16.1994

Surface and Volume Properties
Accessible surface: 642.125	Positive charged surface: 322.343	Negative charged surface: 319.781	Volume: 347.875
Hydrophobic surface: 609.596	Hydrophilic surface: 32.529

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.