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NCID-ZINC01699915

 MMsINC code: MMs02329813
Type: Neutral
Formula: C7H10N4O2
SMILES:   O(C(=O)c1cnc(nc1N)N)CC
InChI:   InChI=1/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-10.9129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.183 g/mol  logS: -1.35144  SlogP: -0.1823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151911  Sterimol/B1: 2.41735  Sterimol/B2: 2.5103  Sterimol/B3: 2.59412
  Sterimol/B4: 5.24258  Sterimol/L: 13.1479 
 
 Surface and Volume Properties
  Accessible surface: 381.484  Positive charged surface: 292.594  Negative charged surface: 88.8901  Volume: 163.875
  Hydrophobic surface: 151.515  Hydrophilic surface: 229.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.