MMsINC Database Search


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MMsINC code: MMs02327855

Type: Neutral
Formula: C₁₇H₁₈Cl₄N₂

SMILES:

Clc1cc(Cl)ccc1CNCCCNCc1ccc(Cl)cc1Cl

InChI:

InChI=1/C17H18Cl4N2/c18-14-4-2-12(16(20)8-14)10-22-6-1-7-23-11-13-3-5-15(19)9-17(13)21/h2-5,8-9,22-23H,1,6-7,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2335 kcal/mol

Physical Properties
Molecular Weight: 392.157 g/mol	logS: -5.79915	SlogP: 6.1025	Reactive groups: 0

Topological Properties
Globularity: 0.059664	Sterimol/B1: 3.43551	Sterimol/B2: 3.63174	Sterimol/B3: 4.45179
Sterimol/B4: 5.56312	Sterimol/L: 21.0539

Surface and Volume Properties
Accessible surface: 652.851	Positive charged surface: 295.688	Negative charged surface: 357.163	Volume: 341.375
Hydrophobic surface: 617.07	Hydrophilic surface: 35.781

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02327856
NCID-ZINC01697244