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ENAMINE-ZINC03515919

 MMsINC code: MMs01486037
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1ncccc1NC(=O)COc1cc(Cl)ccc1
InChI:   InChI=1/C13H10Cl2N2O2/c14-9-3-1-4-10(7-9)19-8-12(18)17-11-5-2-6-16-13(11)15/h1-7H,8H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=83.6645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -3.95339  SlogP: 3.4059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122188  Sterimol/B1: 2.63731  Sterimol/B2: 2.73399  Sterimol/B3: 2.85687
  Sterimol/B4: 6.20693  Sterimol/L: 16.3677 
 
 Surface and Volume Properties
  Accessible surface: 511.282  Positive charged surface: 235.572  Negative charged surface: 275.71  Volume: 251.5
  Hydrophobic surface: 441.961  Hydrophilic surface: 69.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.