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ACDBLOCKS-ZINC02582686

 MMsINC code: MMs00001099
Type: Neutral
Formula: C11H10FNO2
SMILES:   Fc1c2[nH]c(C)c(c2ccc1)CC(O)=O
InChI:   InChI=1/C11H10FNO2/c1-6-8(5-10(14)15)7-3-2-4-9(12)11(7)13-6/h2-4,13H,5H2,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.0176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.204 g/mol  logS: -2.31402  SlogP: 2.24249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819805  Sterimol/B1: 2.31629  Sterimol/B2: 2.67247  Sterimol/B3: 3.52829
  Sterimol/B4: 6.25909  Sterimol/L: 11.2298 
 
 Surface and Volume Properties
  Accessible surface: 390.809  Positive charged surface: 218.516  Negative charged surface: 168.432  Volume: 187.375
  Hydrophobic surface: 277.359  Hydrophilic surface: 113.45
 
 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


MMs00001100
ACDBLOCKS-ZINC02582686