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NCID-ZINC05431204

 MMsINC code: MMs02460962
Type: Neutral
Formula: C9H14F3NO4
SMILES:   FC(F)(F)C(=O)NC1CC(OC(C)C1O)OC
InChI:   InChI=1/C9H14F3NO4/c1-4-7(14)5(3-6(16-2)17-4)13-8(15)9(10,11)12/h4-7,14H,3H2,1-2H3,(H,13,15)/t4-,5-,6-,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.2478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.208 g/mol  logS: -1.48739  SlogP: 0.5956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992646  Sterimol/B1: 2.31715  Sterimol/B2: 2.88668  Sterimol/B3: 3.2802
  Sterimol/B4: 7.14153  Sterimol/L: 12.3336 
 
 Surface and Volume Properties
  Accessible surface: 440.11  Positive charged surface: 261.444  Negative charged surface: 178.666  Volume: 204.375
  Hydrophobic surface: 220.952  Hydrophilic surface: 219.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.