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NCID-ZINC01581854

 MMsINC code: MMs02239084
Type: Neutral
Formula: C7H9Cl3N4O2
SMILES:   ClN1C2N(Cl)C(=O)N(Cl)C2N(C(C)C)C1=O
InChI:   InChI=1/C7H9Cl3N4O2/c1-3(2)11-4-5(13(9)6(11)15)14(10)7(16)12(4)8/h3-5H,1-2H3/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=19.3156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.534 g/mol  logS: -2.53932  SlogP: 1.9836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213259  Sterimol/B1: 2.13857  Sterimol/B2: 4.27067  Sterimol/B3: 4.72222
  Sterimol/B4: 5.84837  Sterimol/L: 11.6107 
 
 Surface and Volume Properties
  Accessible surface: 415.767  Positive charged surface: 155.073  Negative charged surface: 260.694  Volume: 213.375
  Hydrophobic surface: 303.089  Hydrophilic surface: 112.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.