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PUBCHEM-ZINC03748664

 MMsINC code: MMs03069101
Type: Neutral
Formula: C10H8FNO2
SMILES:   Fc1c2c([nH]c(c2)C(O)=O)c(cc1)C
InChI:   InChI=1/C10H8FNO2/c1-5-2-3-7(11)6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.5516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.177 g/mol  logS: -2.25255  SlogP: 2.31362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117153  Sterimol/B1: 1.969  Sterimol/B2: 2.1048  Sterimol/B3: 2.51224
  Sterimol/B4: 7.10351  Sterimol/L: 11.2959 
 
 Surface and Volume Properties
  Accessible surface: 367.203  Positive charged surface: 184.635  Negative charged surface: 177.006  Volume: 167.25
  Hydrophobic surface: 247.391  Hydrophilic surface: 119.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03069102
PUBCHEM-ZINC03748664