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PUBCHEM-ZINC02038901

 MMsINC code: MMs02862510
Type: Neutral
Formula: C7H14ClO6P
SMILES:   ClC(C(P(OC)(OC)=O)(O)C)C(OC)=O
InChI:   InChI=1/C7H14ClO6P/c1-7(10,5(8)6(9)12-2)15(11,13-3)14-4/h5,10H,1-4H3/t5-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=58.0188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.61 g/mol  logS: -0.96546  SlogP: 0.3109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838152  Sterimol/B1: 2.31608  Sterimol/B2: 3.08491  Sterimol/B3: 3.89316
  Sterimol/B4: 6.24598  Sterimol/L: 12.9507 
 
 Surface and Volume Properties
  Accessible surface: 431.748  Positive charged surface: 307.603  Negative charged surface: 124.145  Volume: 212
  Hydrophobic surface: 287.424  Hydrophilic surface: 144.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.