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NCID-ZINC01614991

 MMsINC code: MMs02264760
Type: Neutral
Formula: C10H5F6NO2
SMILES:   FC(F)(F)C1(OC(=O)c2c1ccc(N)c2)C(F)(F)F
InChI:   InChI=1/C10H5F6NO2/c11-9(12,13)8(10(14,15)16)6-2-1-4(17)3-5(6)7(18)19-8/h1-3H,17H2

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Potential Energy
Epot(MMFF94)=59.4901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.143 g/mol  logS: -3.77587  SlogP: 3.9104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147908  Sterimol/B1: 2.42468  Sterimol/B2: 3.88624  Sterimol/B3: 3.88903
  Sterimol/B4: 6.44227  Sterimol/L: 11.1087 
 
 Surface and Volume Properties
  Accessible surface: 387.068  Positive charged surface: 128.597  Negative charged surface: 258.471  Volume: 189.625
  Hydrophobic surface: 99.7276  Hydrophilic surface: 287.3404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.