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PUBCHEM-ZINC03591095

 MMsINC code: MMs03018051
Type: Neutral
Formula: C11H14NO7P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(O)(=O)CCCCC(O)=O
InChI:   InChI=1/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)

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Potential Energy
Epot(MMFF94)=28.3554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.207 g/mol  logS: -2.03981  SlogP: 1.3437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336548  Sterimol/B1: 2.54357  Sterimol/B2: 2.87522  Sterimol/B3: 2.99632
  Sterimol/B4: 4.84345  Sterimol/L: 18.6104 
 
 Surface and Volume Properties
  Accessible surface: 522.026  Positive charged surface: 269.001  Negative charged surface: 253.025  Volume: 248.75
  Hydrophobic surface: 269.121  Hydrophilic surface: 252.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs03018052
PUBCHEM-ZINC03591095