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PUBCHEM-ZINC05751474

 MMsINC code: MMs03370852
Type: Neutral
Formula: C12H16Cl2NO6P
SMILES:   ClC(COP(Oc1ccc([N+](=O)[O-])cc1)(OCC(Cl)C)=O)C
InChI:   InChI=1/C12H16Cl2NO6P/c1-9(13)7-19-22(18,20-8-10(2)14)21-12-5-3-11(4-6-12)15(16)17/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=51.4748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.141 g/mol  logS: -4.54323  SlogP: 4.1391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0877972  Sterimol/B1: 2.23518  Sterimol/B2: 3.31104  Sterimol/B3: 4.61388
  Sterimol/B4: 7.33585  Sterimol/L: 16.2201 
 
 Surface and Volume Properties
  Accessible surface: 575.692  Positive charged surface: 235.989  Negative charged surface: 339.703  Volume: 298.125
  Hydrophobic surface: 281.983  Hydrophilic surface: 293.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.