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MMsINC code: MMs00751558

Type: Neutral
Formula: C₁₄H₂₁Cl₂NO₂

SMILES:

Clc1cc(OCCOCCNC(C)(C)C)ccc1Cl

InChI:

InChI=1/C14H21Cl2NO2/c1-14(2,3)17-6-7-18-8-9-19-11-4-5-12(15)13(16)10-11/h4-5,10,17H,6-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4757 kcal/mol

Physical Properties
Molecular Weight: 306.233 g/mol	logS: -3.79505	SlogP: 3.7769	Reactive groups: 0

Topological Properties
Globularity: 0.0945756	Sterimol/B1: 2.59105	Sterimol/B2: 3.10946	Sterimol/B3: 5.35936
Sterimol/B4: 6.36165	Sterimol/L: 16.7589

Surface and Volume Properties
Accessible surface: 582.588	Positive charged surface: 346.576	Negative charged surface: 236.012	Volume: 289.25
Hydrophobic surface: 505.356	Hydrophilic surface: 77.232

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00751559
CHEMBRIDGE-ZINC03003638