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CHEMBRIDGE-ZINC03681352

 MMsINC code: MMs00754148
Type: Neutral
Formula: C9H15N3O2
SMILES:   O=C1N(CCC1)CC(=O)\N=C\N(C)C
InChI:   InChI=1/C9H15N3O2/c1-11(2)7-10-8(13)6-12-5-3-4-9(12)14/h7H,3-6H2,1-2H3/b10-7+

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Potential Energy
Epot(MMFF94)=25.3153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.238 g/mol  logS: -0.33459  SlogP: -0.2747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691155  Sterimol/B1: 2.12395  Sterimol/B2: 3.23791  Sterimol/B3: 4.12
  Sterimol/B4: 4.78337  Sterimol/L: 13.6025 
 
 Surface and Volume Properties
  Accessible surface: 435.11  Positive charged surface: 362.804  Negative charged surface: 72.3054  Volume: 197.5
  Hydrophobic surface: 341.188  Hydrophilic surface: 93.922
 
 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.