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MMsINC code: MMs00741996

Type: Neutral
Formula: C₁₅H₂₁Cl₂NO

SMILES:

Clc1cccc(Cl)c1OCCCCN1CCCCC1

InChI:

InChI=1/C15H21Cl2NO/c16-13-7-6-8-14(17)15(13)19-12-5-4-11-18-9-2-1-3-10-18/h6-8H,1-5,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.4452 kcal/mol

Physical Properties
Molecular Weight: 302.245 g/mol	logS: -3.95942	SlogP: 4.6383	Reactive groups: 0

Topological Properties
Globularity: 0.0481508	Sterimol/B1: 2.81031	Sterimol/B2: 3.51801	Sterimol/B3: 4.57161
Sterimol/B4: 5.13493	Sterimol/L: 17.1157

Surface and Volume Properties
Accessible surface: 555.19	Positive charged surface: 348.144	Negative charged surface: 207.046	Volume: 291.375
Hydrophobic surface: 548.461	Hydrophilic surface: 6.729

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

MMs00741997
CHEMBRIDGE-ZINC02931307