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OAKWOOD-ZINC04290338

 MMsINC code: MMs02550977
Type: Neutral
Formula: C7H3ClF3IO
SMILES:   Ic1cc(OC(F)(F)F)ccc1Cl
InChI:   InChI=1/C7H3ClF3IO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.9639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.451 g/mol  logS: -4.30002  SlogP: 4.2631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342425  Sterimol/B1: 2.54028  Sterimol/B2: 2.63602  Sterimol/B3: 2.64011
  Sterimol/B4: 7.11234  Sterimol/L: 11.3936 
 
 Surface and Volume Properties
  Accessible surface: 370.425  Positive charged surface: 72.9344  Negative charged surface: 297.491  Volume: 170.25
  Hydrophobic surface: 251.196  Hydrophilic surface: 119.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.