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MMsINC code: MMs02643993

Type: Neutral
Formula: C₁₇H₁₈Cl₂N₂

SMILES:

Clc1ccccc1CN1CCN(CC1)c1ccccc1Cl

InChI:

InChI=1/C17H18Cl2N2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.524 kcal/mol

Physical Properties
Molecular Weight: 321.251 g/mol	logS: -4.5955	SlogP: 4.582	Reactive groups: 0

Topological Properties
Globularity: 0.117166	Sterimol/B1: 2.45528	Sterimol/B2: 3.83491	Sterimol/B3: 4.74526
Sterimol/B4: 6.0943	Sterimol/L: 15.5157

Surface and Volume Properties
Accessible surface: 540.063	Positive charged surface: 301.949	Negative charged surface: 238.114	Volume: 301.625
Hydrophobic surface: 522.074	Hydrophilic surface: 17.989

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02643994
PUBCHEM-ZINC00238808