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CHEMBLOCK-ZINC01443187

 MMsINC code: MMs00527422
Type: Neutral
Formula: C10H12F4N2O3
SMILES:   FC(F)(COC(N1C=C(C)C(=O)NC1=O)C)C(F)F
InChI:   InChI=1/C10H12F4N2O3/c1-5-3-16(9(18)15-7(5)17)6(2)19-4-10(13,14)8(11)12/h3,6,8H,4H2,1-2H3,(H,15,17,18)/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.209 g/mol  logS: -1.90604  SlogP: 2.5448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219421  Sterimol/B1: 2.428  Sterimol/B2: 3.04984  Sterimol/B3: 4.53125
  Sterimol/B4: 6.0943  Sterimol/L: 12.6664 
 
 Surface and Volume Properties
  Accessible surface: 454.166  Positive charged surface: 214.029  Negative charged surface: 240.136  Volume: 219.875
  Hydrophobic surface: 187.028  Hydrophilic surface: 267.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.