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MMsINC code: MMs00739578

Type: Neutral
Formula: C₁₄H₂₁Cl₂NO

SMILES:

Clc1cc(Cl)ccc1OCCCCNC(C)(C)C

InChI:

InChI=1/C14H21Cl2NO/c1-14(2,3)17-8-4-5-9-18-13-7-6-11(15)10-12(13)16/h6-7,10,17H,4-5,8-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.2876 kcal/mol

Physical Properties
Molecular Weight: 290.234 g/mol	logS: -4.05595	SlogP: 4.5405	Reactive groups: 0

Topological Properties
Globularity: 0.0359733	Sterimol/B1: 2.39796	Sterimol/B2: 4.29588	Sterimol/B3: 4.72337
Sterimol/B4: 4.84803	Sterimol/L: 18.3849

Surface and Volume Properties
Accessible surface: 561.299	Positive charged surface: 309.433	Negative charged surface: 251.867	Volume: 282.625
Hydrophobic surface: 489.202	Hydrophilic surface: 72.097

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

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Ions/Tautomers related molecules

MMs00739579
CHEMBRIDGE-ZINC02902919