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ACROSORGANICS-ZINC02560390

 MMsINC code: MMs00014324
Type: Neutral
Formula: C9H3F6NO
SMILES:   FC(F)(F)c1cc(cc(N=C=O)c1)C(F)(F)F
InChI:   InChI=1/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.0935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.117 g/mol  logS: -3.42829  SlogP: 4.3145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0560744  Sterimol/B1: 2.81472  Sterimol/B2: 2.81496  Sterimol/B3: 3.84362
  Sterimol/B4: 5.46744  Sterimol/L: 10.5612 
 
 Surface and Volume Properties
  Accessible surface: 377.625  Positive charged surface: 85.3724  Negative charged surface: 292.252  Volume: 170.75
  Hydrophobic surface: 79.8937  Hydrophilic surface: 297.7313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.