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NCID-ZINC04916411

 MMsINC code: MMs02415856
Type: Neutral
Formula: C7H10N4O4
SMILES:   O=C1N(C)C(=O)N(C)C(NC)=C1[N+](=O)[O-]
InChI:   InChI=1/C7H10N4O4/c1-8-5-4(11(14)15)6(12)10(3)7(13)9(5)2/h8H,1-3H3

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Potential Energy
Epot(MMFF94)=33.6839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.181 g/mol  logS: -1.14903  SlogP: -0.8246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0690948  Sterimol/B1: 2.44971  Sterimol/B2: 3.07586  Sterimol/B3: 4.42547
  Sterimol/B4: 5.5323  Sterimol/L: 10.921 
 
 Surface and Volume Properties
  Accessible surface: 372.255  Positive charged surface: 264.3  Negative charged surface: 107.955  Volume: 175.5
  Hydrophobic surface: 202.905  Hydrophilic surface: 169.35
 
 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.