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LOPAC-ZINC02047684

 MMsINC code: MMs02125607
Type: Neutral
Formula: C11H19N2O7P
SMILES:   P(O)(O)(=O)COc1noc(C(C)(C)C)c1CC(N)C(O)=O
InChI:   InChI=1/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=37.6457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.254 g/mol  logS: -0.06978  SlogP: -0.62973  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141882  Sterimol/B1: 2.3545  Sterimol/B2: 4.59271  Sterimol/B3: 4.61505
  Sterimol/B4: 6.67973  Sterimol/L: 12.964 
 
 Surface and Volume Properties
  Accessible surface: 501.428  Positive charged surface: 309.688  Negative charged surface: 191.741  Volume: 269
  Hydrophobic surface: 198.875  Hydrophilic surface: 302.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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.