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ACROSORGANICS-ZINC01576309

 MMsINC code: MMs00009359
Type: Neutral
Formula: C11H22N4O4
SMILES:   O(C(C)(C)C)C(=O)NC(CCCNC(N)=N)C(O)=O
InChI:   InChI=1/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-16.4914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.321 g/mol  logS: -1.54148  SlogP: 0.22757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563852  Sterimol/B1: 3.29573  Sterimol/B2: 3.60489  Sterimol/B3: 5.06259
  Sterimol/B4: 6.06106  Sterimol/L: 15.6325 
 
 Surface and Volume Properties
  Accessible surface: 542.93  Positive charged surface: 382.663  Negative charged surface: 160.266  Volume: 260.5
  Hydrophobic surface: 221.54  Hydrophilic surface: 321.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.