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MMsINC code: MMs02615513

Type: Neutral
Formula: C₁₆H₂₂Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)N(CCOC)C1CCN(CC1)C

InChI:

InChI=1/C16H22Cl2N2O2/c1-19-7-5-13(6-8-19)20(9-10-22-2)16(21)14-4-3-12(17)11-15(14)18/h3-4,11,13H,5-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.165 kcal/mol

Physical Properties
Molecular Weight: 345.27 g/mol	logS: -3.48651	SlogP: 3.1762	Reactive groups: 0

Topological Properties
Globularity: 0.148692	Sterimol/B1: 3.79571	Sterimol/B2: 4.17073	Sterimol/B3: 4.88742
Sterimol/B4: 5.37314	Sterimol/L: 15.9928

Surface and Volume Properties
Accessible surface: 555.214	Positive charged surface: 379.658	Negative charged surface: 175.556	Volume: 317.5
Hydrophobic surface: 537.61	Hydrophilic surface: 17.604

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02615514
PEAKDALE-ZINC01743183