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NCID-ZINC01581004

 MMsINC code: MMs02238440
Type: Neutral
Formula: C6H14ClO4P
SMILES:   ClCP(OC(C)C)(OCCO)=O
InChI:   InChI=1/C6H14ClO4P/c1-6(2)11-12(9,5-7)10-4-3-8/h6,8H,3-5H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=24.2763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.601 g/mol  logS: -0.53404  SlogP: 0.7395  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.173382  Sterimol/B1: 2.94433  Sterimol/B2: 3.52459  Sterimol/B3: 4.85877
  Sterimol/B4: 5.66652  Sterimol/L: 11.4576 
 
 Surface and Volume Properties
  Accessible surface: 416.188  Positive charged surface: 259.662  Negative charged surface: 156.526  Volume: 186.5
  Hydrophobic surface: 225.838  Hydrophilic surface: 190.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.