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NCID-ZINC01648246

 MMsINC code: MMs02288480
Type: Neutral
Formula: C10H14N4O3
SMILES:   O=C1N(C)C(=O)N(C=2N(CC)C(=O)N(C1=2)C)C
InChI:   InChI=1/C10H14N4O3/c1-5-14-7-6(11(2)10(14)17)8(15)13(4)9(16)12(7)3/h5H2,1-4H3

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Potential Energy
Epot(MMFF94)=23.8701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.247 g/mol  logS: -0.89924  SlogP: 0.0666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755654  Sterimol/B1: 2.06207  Sterimol/B2: 3.75964  Sterimol/B3: 4.23305
  Sterimol/B4: 6.24622  Sterimol/L: 11.6705 
 
 Surface and Volume Properties
  Accessible surface: 418.302  Positive charged surface: 329.878  Negative charged surface: 88.4243  Volume: 212.625
  Hydrophobic surface: 286.47  Hydrophilic surface: 131.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.