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NCID-ZINC01704302

 MMsINC code: MMs02333134
Type: Neutral
Formula: C7H15Cl2O4P
SMILES:   ClC(Cl)P(OC(C)C)(OCCCO)=O
InChI:   InChI=1/C7H15Cl2O4P/c1-6(2)13-14(11,7(8)9)12-5-3-4-10/h6-7,10H,3-5H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=27.8547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.073 g/mol  logS: -1.23208  SlogP: 2.1144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132552  Sterimol/B1: 2.64737  Sterimol/B2: 2.95059  Sterimol/B3: 4.80837
  Sterimol/B4: 7.15137  Sterimol/L: 12.618 
 
 Surface and Volume Properties
  Accessible surface: 464.321  Positive charged surface: 250.434  Negative charged surface: 213.887  Volume: 219.125
  Hydrophobic surface: 220.739  Hydrophilic surface: 243.582
 
 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.