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ASINEX-ZINC04917701

 MMsINC code: MMs00404487
Type: Neutral
Formula: C11H19N5O3
SMILES:   O(C(C)(C)C)C(=O)N1CC(N=[N+]=[N-])CC1C(=O)NC
InChI:   InChI=1/C11H19N5O3/c1-11(2,3)19-10(18)16-6-7(14-15-12)5-8(16)9(17)13-4/h7-8H,5-6H2,1-4H3,(H,13,17)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=53.1498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.305 g/mol  logS: -1.40487  SlogP: 1.4207  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.116974  Sterimol/B1: 2.0626  Sterimol/B2: 4.814  Sterimol/B3: 4.8757
  Sterimol/B4: 7.89391  Sterimol/L: 12.2089 
 
 Surface and Volume Properties
  Accessible surface: 513.721  Positive charged surface: 347.887  Negative charged surface: 165.834  Volume: 254.125
  Hydrophobic surface: 321.43  Hydrophilic surface: 192.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.