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NCID-ZINC01704301

 MMsINC code: MMs02333133
Type: Neutral
Formula: C6H13Cl2O4P
SMILES:   ClC(Cl)P(OC(C)C)(OCCO)=O
InChI:   InChI=1/C6H13Cl2O4P/c1-5(2)12-13(10,6(7)8)11-4-3-9/h5-6,9H,3-4H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=34.5585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.046 g/mol  logS: -1.03031  SlogP: 1.7243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208825  Sterimol/B1: 2.49419  Sterimol/B2: 3.21412  Sterimol/B3: 4.61912
  Sterimol/B4: 7.68849  Sterimol/L: 10.5537 
 
 Surface and Volume Properties
  Accessible surface: 430.642  Positive charged surface: 230.432  Negative charged surface: 200.21  Volume: 201
  Hydrophobic surface: 196.035  Hydrophilic surface: 234.607
 
 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.