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MMsINC code: MMs02126148

Type: Neutral
Formula: C₁₈H₂₄Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)CC(=O)N1CCCCC1CN1CCCC1

InChI:

InChI=1/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.955 kcal/mol

Physical Properties
Molecular Weight: 355.309 g/mol	logS: -4.15949	SlogP: 4.01277	Reactive groups: 0

Topological Properties
Globularity: 0.169492	Sterimol/B1: 2.36484	Sterimol/B2: 4.01932	Sterimol/B3: 5.70303
Sterimol/B4: 7.26704	Sterimol/L: 14.9961

Surface and Volume Properties
Accessible surface: 581.32	Positive charged surface: 377.675	Negative charged surface: 203.645	Volume: 334.125
Hydrophobic surface: 577.432	Hydrophilic surface: 3.888

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02126149
LOPAC-ZINC03995684