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MMsINC code: MMs02919984

Type: Neutral
Formula: C₂₃H₂₉ClN₂

SMILES:

Clc1cc(ccc1)CN1CCN(CC1)C1CCC(CC1)c1ccccc1

InChI:

InChI=1/C23H29ClN2/c24-22-8-4-5-19(17-22)18-25-13-15-26(16-14-25)23-11-9-21(10-12-23)20-6-2-1-3-7-20/h1-8,17,21,23H,9-16,18H2/t21-,23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0807 kcal/mol

Physical Properties
Molecular Weight: 368.952 g/mol	logS: -5.01065	SlogP: 5.4504	Reactive groups: 0

Topological Properties
Globularity: 0.058464	Sterimol/B1: 3.43001	Sterimol/B2: 4.37522	Sterimol/B3: 4.38679
Sterimol/B4: 5.35993	Sterimol/L: 19.6188

Surface and Volume Properties
Accessible surface: 663.808	Positive charged surface: 428.941	Negative charged surface: 234.868	Volume: 380.875
Hydrophobic surface: 655.262	Hydrophilic surface: 8.546

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

MMs02919985
PUBCHEM-ZINC02765259