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AURORAFEINCHEMIE-ZINC01445015

 MMsINC code: MMs00448461
Type: Neutral
Formula: C9H10Cl3O2P
SMILES:   ClC(Cl)(Cl)P(OCC)(=O)c1ccccc1
InChI:   InChI=1/C9H10Cl3O2P/c1-2-14-15(13,9(10,11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=52.3472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.51 g/mol  logS: -3.97161  SlogP: 3.3039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12465  Sterimol/B1: 2.5503  Sterimol/B2: 3.11386  Sterimol/B3: 4.97057
  Sterimol/B4: 6.79414  Sterimol/L: 12.4738 
 
 Surface and Volume Properties
  Accessible surface: 448.189  Positive charged surface: 177.116  Negative charged surface: 271.073  Volume: 227.625
  Hydrophobic surface: 254.622  Hydrophilic surface: 193.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.