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NCID-ZINC05431194

 MMsINC code: MMs02460957
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)=43.3177 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: 0.174287  Sterimol/B1: 3.42396  Sterimol/B2: 4.40921  Sterimol/B3: 5.02029
  Sterimol/B4: 6.86501  Sterimol/L: 13.8633 
 
 Surface and Volume Properties
  Accessible surface: 516.368  Positive charged surface: 327.305  Negative charged surface: 189.063  Volume: 254.75
  Hydrophobic surface: 346.027  Hydrophilic surface: 170.341
 
 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.