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PUBCHEM-ZINC04097217

 MMsINC code: MMs03090347
Type: Neutral
Formula: C14H11Cl5O2
SMILES:   ClC1=CC=C(C(C(Cl)(Cl)Cl)c2ccc(Cl)cc2)C(O)C1O
InChI:   InChI=1/C14H11Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11-13,20-21H/t11-,12+,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.505 g/mol  logS: -6.03234  SlogP: 5.1071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264472  Sterimol/B1: 3.50272  Sterimol/B2: 4.31627  Sterimol/B3: 5.21485
  Sterimol/B4: 5.2523  Sterimol/L: 13.7035 
 
 Surface and Volume Properties
  Accessible surface: 513.968  Positive charged surface: 168.153  Negative charged surface: 345.815  Volume: 295.75
  Hydrophobic surface: 317.639  Hydrophilic surface: 196.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.