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ACDBLOCKS-ZINC02582686

 MMsINC code: MMs00001100
Type: Ionized
Formula: C11H9FNO2-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.196 g/mol  logS: -2.57447  SlogP: 0.90779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655751  Sterimol/B1: 2.54564  Sterimol/B2: 2.71832  Sterimol/B3: 3.43611
  Sterimol/B4: 6.76048  Sterimol/L: 10.559 
 
 Surface and Volume Properties
  Accessible surface: 385.164  Positive charged surface: 185.799  Negative charged surface: 194.918  Volume: 184.75
  Hydrophobic surface: 278.946  Hydrophilic surface: 106.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00001099
ACDBLOCKS-ZINC02582686