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NCID-ZINC05567011

 MMsINC code: MMs02475846
Type: Neutral
Formula: C4H4Cl2N2O2
SMILES:   ClN1C(=O)CCN(Cl)C1=O
InChI:   InChI=1/C4H4Cl2N2O2/c5-7-2-1-3(9)8(6)4(7)10/h1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.65903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.994 g/mol  logS: -1.56482  SlogP: 0.9483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139696  Sterimol/B1: 2.44382  Sterimol/B2: 2.56282  Sterimol/B3: 3.20065
  Sterimol/B4: 5.80785  Sterimol/L: 8.98369 
 
 Surface and Volume Properties
  Accessible surface: 310.244  Positive charged surface: 108.518  Negative charged surface: 201.726  Volume: 128.5
  Hydrophobic surface: 227.696  Hydrophilic surface: 82.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.