MMsINC Database Search


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MMsINC code: MMs02651273

Type: Neutral
Formula: C₁₈H₂₀Cl₂N₂

SMILES:

Clc1c(cccc1Cl)CN1CCN(CC1)c1ccccc1C

InChI:

InChI=1/C18H20Cl2N2/c1-14-5-2-3-8-17(14)22-11-9-21(10-12-22)13-15-6-4-7-16(19)18(15)20/h2-8H,9-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.743 kcal/mol

Physical Properties
Molecular Weight: 335.278 g/mol	logS: -4.75597	SlogP: 4.89042	Reactive groups: 0

Topological Properties
Globularity: 0.115194	Sterimol/B1: 1.969	Sterimol/B2: 3.4453	Sterimol/B3: 4.75863
Sterimol/B4: 7.08517	Sterimol/L: 15.4985

Surface and Volume Properties
Accessible surface: 559.839	Positive charged surface: 319.76	Negative charged surface: 240.079	Volume: 321
Hydrophobic surface: 544.087	Hydrophilic surface: 15.752

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

MMs02651274
PUBCHEM-ZINC00294218