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PUBCHEM-ZINC00337845

 MMsINC code: MMs02658337
Type: Neutral
Formula: C10H12N4O2
SMILES:   O=C1N(C)C(=O)N(c2nc(cnc12)CC)C
InChI:   InChI=1/C10H12N4O2/c1-4-6-5-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h5H,4H2,1-3H3

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Potential Energy
Epot(MMFF94)=36.1517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.232 g/mol  logS: -0.18898  SlogP: 0.68077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047511  Sterimol/B1: 2.12658  Sterimol/B2: 3.5048  Sterimol/B3: 4.43448
  Sterimol/B4: 4.60149  Sterimol/L: 13.0239 
 
 Surface and Volume Properties
  Accessible surface: 416.426  Positive charged surface: 321.873  Negative charged surface: 94.5528  Volume: 201.25
  Hydrophobic surface: 284.779  Hydrophilic surface: 131.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.