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NCID-ZINC01709708

 MMsINC code: MMs02337044
Type: Neutral
Formula: C11H15N2O6P
SMILES:   P1(OCC([N+](=O)[O-])(CO1)C)(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C11H15N2O6P/c1-11(13(14)15)7-18-20(16,19-8-11)12-9-4-3-5-10(6-9)17-2/h3-6H,7-8H2,1-2H3,(H,12,16)/t11-,20-

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Potential Energy
Epot(MMFF94)=27.0832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.223 g/mol  logS: -2.41967  SlogP: 1.2272  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0812379  Sterimol/B1: 3.24994  Sterimol/B2: 3.48999  Sterimol/B3: 3.8792
  Sterimol/B4: 5.03665  Sterimol/L: 15.393 
 
 Surface and Volume Properties
  Accessible surface: 483.264  Positive charged surface: 284.697  Negative charged surface: 198.567  Volume: 247.625
  Hydrophobic surface: 321.498  Hydrophilic surface: 161.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.