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ENAMINE-ZINC03231456

 MMsINC code: MMs01319327
Type: Neutral
Formula: C8H8Cl2N2O2
SMILES:   Clc1cc(Cl)cnc1NC(OCC)=O
InChI:   InChI=1/C8H8Cl2N2O2/c1-2-14-8(13)12-7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=17.6314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.07 g/mol  logS: -2.5127  SlogP: 2.9568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128506  Sterimol/B1: 2.37469  Sterimol/B2: 2.3758  Sterimol/B3: 4.19869
  Sterimol/B4: 4.81497  Sterimol/L: 14.4993 
 
 Surface and Volume Properties
  Accessible surface: 422.128  Positive charged surface: 218.648  Negative charged surface: 203.48  Volume: 192.5
  Hydrophobic surface: 327.033  Hydrophilic surface: 95.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.