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ASINEX-ZINC03440372

 MMsINC code: MMs00288752
Type: Neutral
Formula: C10H7FO3
SMILES:   Fc1c2oc(C(O)=O)c(c2ccc1)C
InChI:   InChI=1/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.8894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.161 g/mol  logS: -3.40798  SlogP: 2.57852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119463  Sterimol/B1: 2.10407  Sterimol/B2: 2.2049  Sterimol/B3: 2.51173
  Sterimol/B4: 6.4234  Sterimol/L: 11.2457 
 
 Surface and Volume Properties
  Accessible surface: 361.899  Positive charged surface: 187.986  Negative charged surface: 167.986  Volume: 164.75
  Hydrophobic surface: 258.104  Hydrophilic surface: 103.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00288753
ASINEX-ZINC03440372