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IBS-ZINC06661446

 MMsINC code: MMs01961876
Type: Neutral
Formula: C15H12F3NO5
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])c(Oc2ccc(cc2OC)CO)cc1
InChI:   InChI=1/C15H12F3NO5/c1-23-14-6-9(8-20)2-4-13(14)24-12-5-3-10(15(16,17)18)7-11(12)19(21)22/h2-7,20H,8H2,1H3

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Potential Energy
Epot(MMFF94)=107.944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.257 g/mol  logS: -4.83577  SlogP: 4.4847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17705  Sterimol/B1: 2.36908  Sterimol/B2: 3.26972  Sterimol/B3: 6.10334
  Sterimol/B4: 6.80235  Sterimol/L: 15.2085 
 
 Surface and Volume Properties
  Accessible surface: 536.533  Positive charged surface: 266.592  Negative charged surface: 269.942  Volume: 272.5
  Hydrophobic surface: 288.409  Hydrophilic surface: 248.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.