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NCID-ZINC01755849

 MMsINC code: MMs02364549
Type: Neutral
Formula: C9H7F7N2O3
SMILES:   FC(F)(C(F)(F)C(F)(F)F)COCC1=CNC(=O)NC1=O
InChI:   InChI=1/C9H7F7N2O3/c10-7(11,8(12,13)9(14,15)16)3-21-2-4-1-17-6(20)18-5(4)19/h1H,2-3H2,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=19.5558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.152 g/mol  logS: -3.05495  SlogP: 2.8189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523937  Sterimol/B1: 3.03955  Sterimol/B2: 3.1006  Sterimol/B3: 3.53459
  Sterimol/B4: 4.70417  Sterimol/L: 13.577 
 
 Surface and Volume Properties
  Accessible surface: 439.444  Positive charged surface: 161.869  Negative charged surface: 277.575  Volume: 209.25
  Hydrophobic surface: 91.6423  Hydrophilic surface: 347.8017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.