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MMsINC code: MMs02295850

Type: Neutral
Formula: C₂₂H₂₄Cl₄N₂O

SMILES:

Clc1cc(ccc1Cl)CC(=O)N(CCc1cc(Cl)c(Cl)cc1)CCN1CCCC1

InChI:

InChI=1/C22H24Cl4N2O/c23-18-5-3-16(13-20(18)25)7-10-28(12-11-27-8-1-2-9-27)22(29)15-17-4-6-19(24)21(26)14-17/h3-6,13-14H,1-2,7-12,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6424 kcal/mol

Physical Properties
Molecular Weight: 474.259 g/mol	logS: -6.70329	SlogP: 6.00974	Reactive groups: 0

Topological Properties
Globularity: 0.0900133	Sterimol/B1: 3.096	Sterimol/B2: 5.20822	Sterimol/B3: 5.30237
Sterimol/B4: 11.0266	Sterimol/L: 17.1332

Surface and Volume Properties
Accessible surface: 748.045	Positive charged surface: 365.684	Negative charged surface: 382.361	Volume: 422.25
Hydrophobic surface: 727.952	Hydrophilic surface: 20.093

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules

MMs02295851
NCID-ZINC01657780