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ENAMINE-ZINC03194833

 MMsINC code: MMs01302579
Type: Neutral
Formula: C10H16F3NO4
SMILES:   FC(F)(F)C(O)(C(NC=O)C(OC)=O)CCCC
InChI:   InChI=1/C10H16F3NO4/c1-3-4-5-9(17,10(11,12)13)7(14-6-15)8(16)18-2/h6-7,17H,3-5H2,1-2H3,(H,14,15)/t7-,9+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.235 g/mol  logS: -2.50743  SlogP: 1.1775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108281  Sterimol/B1: 3.28588  Sterimol/B2: 3.30016  Sterimol/B3: 4.62281
  Sterimol/B4: 5.55911  Sterimol/L: 13.0488 
 
 Surface and Volume Properties
  Accessible surface: 454.186  Positive charged surface: 288.331  Negative charged surface: 165.855  Volume: 225.625
  Hydrophobic surface: 237.677  Hydrophilic surface: 216.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.