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MMsINC code: MMs00419893

Type: Neutral
Formula: C₁₆H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)C2CCCC2)cc(Cl)c1

InChI:

InChI=1/C16H18Cl2N2O2/c17-11-6-12(18)8-13(7-11)19-16(22)10-5-15(21)20(9-10)14-3-1-2-4-14/h6-8,10,14H,1-5,9H2,(H,19,22)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0837 kcal/mol

Physical Properties
Molecular Weight: 341.238 g/mol	logS: -3.86529	SlogP: 3.723	Reactive groups: 0

Topological Properties
Globularity: 0.0535617	Sterimol/B1: 3.29114	Sterimol/B2: 3.5128	Sterimol/B3: 3.96309
Sterimol/B4: 6.53165	Sterimol/L: 16.6962

Surface and Volume Properties
Accessible surface: 567.95	Positive charged surface: 295.811	Negative charged surface: 272.138	Volume: 302.75
Hydrophobic surface: 489.015	Hydrophilic surface: 78.935

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.