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APOLLO-ZINC02577810

 MMsINC code: MMs00055296
Type: Neutral
Formula: C7H10ClN3O
SMILES:   ClCC(=O)Nc1n(nc(c1)C)C
InChI:   InChI=1/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12)

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Potential Energy
Epot(MMFF94)=48.3424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.63 g/mol  logS: -1.30695  SlogP: 1.26502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0345967  Sterimol/B1: 2.51202  Sterimol/B2: 2.51317  Sterimol/B3: 2.94804
  Sterimol/B4: 6.24702  Sterimol/L: 11.9636 
 
 Surface and Volume Properties
  Accessible surface: 385.579  Positive charged surface: 229.259  Negative charged surface: 156.321  Volume: 170.75
  Hydrophobic surface: 256.25  Hydrophilic surface: 129.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.