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MMsINC code: MMs00716121

Type: Neutral
Formula: C₂₄H₂₃ClN₂O

SMILES:

Clc1cc(ccc1)CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H23ClN2O/c25-23-8-4-5-19(17-23)18-26-13-15-27(16-14-26)24(28)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-12,17H,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.205 kcal/mol

Physical Properties
Molecular Weight: 390.914 g/mol	logS: -6.40032	SlogP: 5.2314	Reactive groups: 0

Topological Properties
Globularity: 0.0625254	Sterimol/B1: 3.30764	Sterimol/B2: 3.78388	Sterimol/B3: 4.62844
Sterimol/B4: 7.75329	Sterimol/L: 17.9208

Surface and Volume Properties
Accessible surface: 672.997	Positive charged surface: 363.68	Negative charged surface: 298.848	Volume: 382.125
Hydrophobic surface: 631.455	Hydrophilic surface: 41.542

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

MMs00716122
CHEMBRIDGE-ZINC02770614