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ASINEX-ZINC04384211

 MMsINC code: MMs00328784
Type: Neutral
Formula: C10H6FNO3
SMILES:   Fc1cc2c([nH]c(C(O)=O)c2C=O)cc1
InChI:   InChI=1/C10H6FNO3/c11-5-1-2-8-6(3-5)7(4-13)9(12-8)10(14)15/h1-4,12H,(H,14,15)

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Potential Energy
Epot(MMFF94)=31.9738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.16 g/mol  logS: -2.09819  SlogP: 1.8177  Reactive groups: 1
 
 Topological Properties
  Globularity: 1.02632e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09884  Sterimol/B3: 3.27861
  Sterimol/B4: 5.45446  Sterimol/L: 11.5542 
 
 Surface and Volume Properties
  Accessible surface: 364.986  Positive charged surface: 186.853  Negative charged surface: 172.322  Volume: 171.125
  Hydrophobic surface: 196.744  Hydrophilic surface: 168.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00328785
ASINEX-ZINC04384211