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PUBCHEM-ZINC05250158

 MMsINC code: MMs03228219
Type: Neutral
Formula: C15H20Cl3N3O3
SMILES:   ClC(Cl)(Cl)C(Nc1ccc([N+](=O)[O-])cc1)NC(=O)CCCCCC
InChI:   InChI=1/C15H20Cl3N3O3/c1-2-3-4-5-6-13(22)20-14(15(16,17)18)19-11-7-9-12(10-8-11)21(23)24/h7-10,14,19H,2-6H2,1H3,(H,20,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=73.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.702 g/mol  logS: -6.70264  SlogP: 5.2095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548034  Sterimol/B1: 3.59696  Sterimol/B2: 3.78162  Sterimol/B3: 4.86997
  Sterimol/B4: 8.03488  Sterimol/L: 16.8315 
 
 Surface and Volume Properties
  Accessible surface: 646.917  Positive charged surface: 299.869  Negative charged surface: 347.048  Volume: 340.125
  Hydrophobic surface: 352.077  Hydrophilic surface: 294.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.