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NCID-ZINC01481981

 MMsINC code: MMs02218671
Type: Neutral
Formula: C7H10N4O4
SMILES:   O(CCn1c(ncc1[N+](=O)[O-])C)C(=O)N
InChI:   InChI=1/C7H10N4O4/c1-5-9-4-6(11(13)14)10(5)2-3-15-7(8)12/h4H,2-3H2,1H3,(H2,8,12)

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Potential Energy
Epot(MMFF94)=3.0139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.181 g/mol  logS: -1.33227  SlogP: 0.46142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853192  Sterimol/B1: 2.12092  Sterimol/B2: 2.96091  Sterimol/B3: 3.47003
  Sterimol/B4: 7.73654  Sterimol/L: 12.3011 
 
 Surface and Volume Properties
  Accessible surface: 403.04  Positive charged surface: 239.561  Negative charged surface: 163.479  Volume: 177.875
  Hydrophobic surface: 185.301  Hydrophilic surface: 217.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.