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MMsINC code: MMs02966167

Type: Neutral
Formula: C₁₆H₂₃Cl₂NO

SMILES:

Clc1cccc(Cl)c1OCCCCN1CCC(CC1)C

InChI:

InChI=1/C16H23Cl2NO/c1-13-7-10-19(11-8-13)9-2-3-12-20-16-14(17)5-4-6-15(16)18/h4-6,13H,2-3,7-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9493 kcal/mol

Physical Properties
Molecular Weight: 316.272 g/mol	logS: -4.47464	SlogP: 4.8843	Reactive groups: 0

Topological Properties
Globularity: 0.0480967	Sterimol/B1: 2.78902	Sterimol/B2: 2.83619	Sterimol/B3: 5.09311
Sterimol/B4: 5.36021	Sterimol/L: 18.3403

Surface and Volume Properties
Accessible surface: 584.3	Positive charged surface: 368.319	Negative charged surface: 215.982	Volume: 308.125
Hydrophobic surface: 557.276	Hydrophilic surface: 27.024

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

MMs02966168
PUBCHEM-ZINC02954439