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NCID-ZINC01752018

 MMsINC code: MMs02362462
Type: Neutral
Formula: C4H4Cl2N4O2
SMILES:   ClN1C2NC(=O)N(Cl)C2NC1=O
InChI:   InChI=1/C4H4Cl2N4O2/c5-9-1-2(8-4(9)12)10(6)3(11)7-1/h1-2H,(H,7,11)(H,8,12)/t1-,2+

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Potential Energy
Epot(MMFF94)=46.6177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.008 g/mol  logS: -1.21968  SlogP: -0.0034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105061  Sterimol/B1: 2.52608  Sterimol/B2: 3.38655  Sterimol/B3: 3.68259
  Sterimol/B4: 5.14768  Sterimol/L: 9.92588 
 
 Surface and Volume Properties
  Accessible surface: 336.048  Positive charged surface: 118.706  Negative charged surface: 217.342  Volume: 143.625
  Hydrophobic surface: 174.098  Hydrophilic surface: 161.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.