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NCID-ZINC01632135

 MMsINC code: MMs02276822
Type: Neutral
Formula: C7H14N4O3
SMILES:   O=C(NC)CN(CC(=O)N)C(=O)NC
InChI:   InChI=1/C7H14N4O3/c1-9-6(13)4-11(3-5(8)12)7(14)10-2/h3-4H2,1-2H3,(H2,8,12)(H,9,13)(H,10,14)

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Potential Energy
Epot(MMFF94)=12.6596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.214 g/mol  logS: 0.05053  SlogP: -2.1409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121734  Sterimol/B1: 2.70182  Sterimol/B2: 2.86544  Sterimol/B3: 3.4867
  Sterimol/B4: 6.98732  Sterimol/L: 12.0308 
 
 Surface and Volume Properties
  Accessible surface: 418.547  Positive charged surface: 337.108  Negative charged surface: 81.4392  Volume: 187.375
  Hydrophobic surface: 223.696  Hydrophilic surface: 194.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.