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NCID-ZINC01691291

 MMsINC code: MMs02323415
Type: Neutral
Formula: C5H2Cl2N4O
SMILES:   Clc1nc(Cl)nc2NC(=O)Nc12
InChI:   InChI=1/C5H2Cl2N4O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H2,8,9,10,11,12)

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Potential Energy
Epot(MMFF94)=2.20812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.004 g/mol  logS: -3.20225  SlogP: 1.7408  Reactive groups: 1
 
 Topological Properties
  Globularity: 4.62708e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10073  Sterimol/B3: 4.13803
  Sterimol/B4: 4.53115  Sterimol/L: 10.9973 
 
 Surface and Volume Properties
  Accessible surface: 330.226  Positive charged surface: 117.381  Negative charged surface: 212.846  Volume: 141.875
  Hydrophobic surface: 153.334  Hydrophilic surface: 176.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.