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MMsINC code: MMs02218967

Type: Neutral
Formula: C₂₂H₃₀Cl₂N₂+2

SMILES:

Clc1ccccc1C[NH2+]CC1CCC(CC1)C[NH2+]Cc1ccccc1Cl

InChI:

InChI=1/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2/p+2/t17-,18-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7389 kcal/mol

Physical Properties
Molecular Weight: 393.402 g/mol	logS: -5.1886	SlogP: 4.1596	Reactive groups: 0

Topological Properties
Globularity: 0.0354936	Sterimol/B1: 2.80791	Sterimol/B2: 4.12197	Sterimol/B3: 4.75305
Sterimol/B4: 6.54427	Sterimol/L: 20.4037

Surface and Volume Properties
Accessible surface: 698.491	Positive charged surface: 440.211	Negative charged surface: 258.28	Volume: 394.75
Hydrophobic surface: 653.445	Hydrophilic surface: 45.046

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

MMs02218968
NCID-ZINC01548798