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PUBCHEM-ZINC05836302

 MMsINC code: MMs03408187
Type: Neutral
Formula: C11H15ClNO6P
SMILES:   ClCCOP(Oc1ccc([N+](=O)[O-])cc1)(OCCC)=O
InChI:   InChI=1/C11H15ClNO6P/c1-2-8-17-20(16,18-9-7-12)19-11-5-3-10(4-6-11)13(14)15/h3-6H,2,7-9H2,1H3/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=40.5878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.669 g/mol  logS: -3.65251  SlogP: 2.6935  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0424085  Sterimol/B1: 2.71433  Sterimol/B2: 3.27221  Sterimol/B3: 3.5282
  Sterimol/B4: 6.56659  Sterimol/L: 16.3622 
 
 Surface and Volume Properties
  Accessible surface: 527.074  Positive charged surface: 269.317  Negative charged surface: 257.757  Volume: 266.875
  Hydrophobic surface: 317.759  Hydrophilic surface: 209.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.