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IBS-ZINC04306242

 MMsINC code: MMs01883726
Type: Neutral
Formula: C10H16N6O3
SMILES:   OCCNc1nc(nc(N)c1[N+](=O)[O-])N1CCCC1
InChI:   InChI=1/C10H16N6O3/c11-8-7(16(18)19)9(12-3-6-17)14-10(13-8)15-4-1-2-5-15/h17H,1-6H2,(H3,11,12,13,14)

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Potential Energy
Epot(MMFF94)=76.7861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.277 g/mol  logS: -2.09682  SlogP: -0.0286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537228  Sterimol/B1: 2.66089  Sterimol/B2: 2.67489  Sterimol/B3: 3.49033
  Sterimol/B4: 7.56006  Sterimol/L: 13.6066 
 
 Surface and Volume Properties
  Accessible surface: 493.62  Positive charged surface: 359.284  Negative charged surface: 134.336  Volume: 235.125
  Hydrophobic surface: 246.621  Hydrophilic surface: 246.999
 
 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.