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PUBCHEM-ZINC02003713

 MMsINC code: MMs02844998
Type: Neutral
Formula: C14H22NO4P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(=O)(CCCC)CCCC
InChI:   InChI=1/C14H22NO4P/c1-3-5-11-20(18,12-6-4-2)19-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.307 g/mol  logS: -3.93753  SlogP: 3.7817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719532  Sterimol/B1: 3.07377  Sterimol/B2: 3.10163  Sterimol/B3: 3.20373
  Sterimol/B4: 8.83407  Sterimol/L: 15.2161 
 
 Surface and Volume Properties
  Accessible surface: 542.548  Positive charged surface: 307.864  Negative charged surface: 234.684  Volume: 286
  Hydrophobic surface: 375.1  Hydrophilic surface: 167.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.