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MMsINC code: MMs00169931

Type: Neutral
Formula: C₁₇H₂₀Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)C1CC(=O)N(C1)C1CCCCC1

InChI:

InChI=1/C17H20Cl2N2O2/c18-12-6-7-15(14(19)9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4764 kcal/mol

Physical Properties
Molecular Weight: 355.265 g/mol	logS: -4.38051	SlogP: 4.1131	Reactive groups: 0

Topological Properties
Globularity: 0.0559011	Sterimol/B1: 2.50844	Sterimol/B2: 3.29999	Sterimol/B3: 3.93188
Sterimol/B4: 6.32113	Sterimol/L: 18.7376

Surface and Volume Properties
Accessible surface: 584.348	Positive charged surface: 332.049	Negative charged surface: 252.299	Volume: 318.75
Hydrophobic surface: 525.364	Hydrophilic surface: 58.984

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.