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NCID-ZINC05431191

 MMsINC code: MMs02460955
Type: Neutral
Formula: C11H18N4O5
SMILES:   O1C(CN=[N+]=[N-])C(OC(=O)C)C(NC(=O)C)CC1OC
InChI:   InChI=1/C11H18N4O5/c1-6(16)14-8-4-10(18-3)20-9(5-13-15-12)11(8)19-7(2)17/h8-11H,4-5H2,1-3H3,(H,14,16)/t8-,9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=45.1353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.288 g/mol  logS: -0.86874  SlogP: 0.4945  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.235129  Sterimol/B1: 4.2188  Sterimol/B2: 4.5257  Sterimol/B3: 5.03406
  Sterimol/B4: 6.39887  Sterimol/L: 13.7258 
 
 Surface and Volume Properties
  Accessible surface: 524.733  Positive charged surface: 333.454  Negative charged surface: 191.279  Volume: 256.5
  Hydrophobic surface: 352.578  Hydrophilic surface: 172.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.