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APOLLO-ZINC02572396

 MMsINC code: MMs00054736
Type: Neutral
Formula: C10H8FNO2
SMILES:   Fc1cc2[nH]cc(c2cc1)CC(O)=O
InChI:   InChI=1/C10H8FNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.177 g/mol  logS: -2.00063  SlogP: 1.93407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774593  Sterimol/B1: 2.51906  Sterimol/B2: 2.77259  Sterimol/B3: 3.47012
  Sterimol/B4: 6.03475  Sterimol/L: 11.6668 
 
 Surface and Volume Properties
  Accessible surface: 368.487  Positive charged surface: 198.369  Negative charged surface: 165.932  Volume: 170.25
  Hydrophobic surface: 230.166  Hydrophilic surface: 138.321
 
 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


MMs00054737
APOLLO-ZINC02572396