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MMsINC code: MMs00529663

Type: Neutral
Formula: C₂₃H₂₄Cl₂N₂+2

SMILES:

Clc1cc(Cl)ccc1C1[NH+](CC[NH+]1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H22Cl2N2/c24-20-11-12-21(22(25)15-20)23-26(16-18-7-3-1-4-8-18)13-14-27(23)17-19-9-5-2-6-10-19/h1-12,15,23H,13-14,16-17H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2889 kcal/mol

Physical Properties
Molecular Weight: 399.365 g/mol	logS: -6.13939	SlogP: 3.8041	Reactive groups: 0

Topological Properties
Globularity: 0.129876	Sterimol/B1: 3.18399	Sterimol/B2: 3.77031	Sterimol/B3: 5.19078
Sterimol/B4: 10.4452	Sterimol/L: 16.6009

Surface and Volume Properties
Accessible surface: 662.49	Positive charged surface: 346.445	Negative charged surface: 316.045	Volume: 392.5
Hydrophobic surface: 636.231	Hydrophilic surface: 26.259

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

MMs00529664
CHEMBLOCK-ZINC02166031