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PUBCHEM-ZINC05763700

 MMsINC code: MMs03377064
Type: Neutral
Formula: C5H6Cl2N2O2
SMILES:   ClN1C(=O)C(CN(Cl)C1=O)C
InChI:   InChI=1/C5H6Cl2N2O2/c1-3-2-8(6)5(11)9(7)4(3)10/h3H,2H2,1H3/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.021 g/mol  logS: -1.76659  SlogP: 1.1943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.354221  Sterimol/B1: 2.23157  Sterimol/B2: 3.9413  Sterimol/B3: 4.28067
  Sterimol/B4: 5.24556  Sterimol/L: 8.6285 
 
 Surface and Volume Properties
  Accessible surface: 331.166  Positive charged surface: 122.955  Negative charged surface: 208.211  Volume: 146.125
  Hydrophobic surface: 237.897  Hydrophilic surface: 93.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.