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IBS-ZINC00494561

 MMsINC code: MMs01739301
Type: Neutral
Formula: C9H5Cl3O3
SMILES:   ClC(Cl)(Cl)C1(OC(=O)c2c1cccc2)O
InChI:   InChI=1/C9H5Cl3O3/c10-9(11,12)8(14)6-4-2-1-3-5(6)7(13)15-8/h1-4,14H/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=59.7251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.495 g/mol  logS: -4.15019  SlogP: 3.1037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147583  Sterimol/B1: 3.42955  Sterimol/B2: 4.18567  Sterimol/B3: 4.37263
  Sterimol/B4: 5.19247  Sterimol/L: 11.3548 
 
 Surface and Volume Properties
  Accessible surface: 388.296  Positive charged surface: 110.402  Negative charged surface: 277.894  Volume: 195.375
  Hydrophobic surface: 142.729  Hydrophilic surface: 245.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.