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MMsINC code: MMs00739172

Type: Neutral
Formula: C₁₄H₁₉Cl₂NO

SMILES:

Clc1cc(Cl)ccc1OCCCN1CCCCC1

InChI:

InChI=1/C14H19Cl2NO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.3296 kcal/mol

Physical Properties
Molecular Weight: 288.218 g/mol	logS: -3.75765	SlogP: 4.2482	Reactive groups: 0

Topological Properties
Globularity: 0.0324652	Sterimol/B1: 2.49223	Sterimol/B2: 2.76922	Sterimol/B3: 3.5692
Sterimol/B4: 6.24332	Sterimol/L: 17.6211

Surface and Volume Properties
Accessible surface: 533.876	Positive charged surface: 322.096	Negative charged surface: 211.78	Volume: 270.125
Hydrophobic surface: 530.79	Hydrophilic surface: 3.086

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00739173
CHEMBRIDGE-ZINC02901559