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PUBCHEM-ZINC05688463

 MMsINC code: MMs03348916
Type: Neutral
Formula: C11H16NO5P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(OC(C)C)(=O)CC
InChI:   InChI=1/C11H16NO5P/c1-4-18(15,16-9(2)3)17-11-7-5-10(6-8-11)12(13)14/h5-9H,4H2,1-3H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=44.2124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.225 g/mol  logS: -3.08532  SlogP: 2.5414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127401  Sterimol/B1: 2.28475  Sterimol/B2: 2.5237  Sterimol/B3: 4.67895
  Sterimol/B4: 7.14995  Sterimol/L: 13.2413 
 
 Surface and Volume Properties
  Accessible surface: 475.73  Positive charged surface: 257.849  Negative charged surface: 217.88  Volume: 243.875
  Hydrophobic surface: 310.16  Hydrophilic surface: 165.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.