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CHEMBRIDGE-ZINC02900653

 MMsINC code: MMs00738889
Type: Neutral
Formula: C10H12F3O4P
SMILES:   P(OC(C(F)(F)F)c1cc(OC)ccc1)(O)(=O)C
InChI:   InChI=1/C10H12F3O4P/c1-16-8-5-3-4-7(6-8)9(10(11,12)13)17-18(2,14)15/h3-6,9H,1-2H3,(H,14,15)/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.17 g/mol  logS: -2.16747  SlogP: 2.5756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131946  Sterimol/B1: 2.90874  Sterimol/B2: 3.91225  Sterimol/B3: 4.68645
  Sterimol/B4: 4.91744  Sterimol/L: 13.5679 
 
 Surface and Volume Properties
  Accessible surface: 466.483  Positive charged surface: 254.579  Negative charged surface: 211.904  Volume: 222.375
  Hydrophobic surface: 271.634  Hydrophilic surface: 194.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.