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APOLLO-ZINC01385182

 MMsINC code: MMs00049154
Type: Neutral
Formula: C9H6FNO
SMILES:   Fc1c2c(nccc2)c(O)cc1
InChI:   InChI=1/C9H6FNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.8542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.151 g/mol  logS: -1.90645  SlogP: 2.0795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00722161  Sterimol/B1: 2.13037  Sterimol/B2: 2.24053  Sterimol/B3: 4.2844
  Sterimol/B4: 4.36997  Sterimol/L: 9.98834 
 
 Surface and Volume Properties
  Accessible surface: 327.125  Positive charged surface: 186.927  Negative charged surface: 134.662  Volume: 144
  Hydrophobic surface: 258.101  Hydrophilic surface: 69.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.