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APOLLO-ZINC00093341

 MMsINC code: MMs00042632
Type: Neutral
Formula: C11H9FN2O
SMILES:   Fc1ccc(Oc2ncccc2N)cc1
InChI:   InChI=1/C11H9FN2O/c12-8-3-5-9(6-4-8)15-11-10(13)2-1-7-14-11/h1-7H,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.204 g/mol  logS: -2.23657  SlogP: 2.5952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107242  Sterimol/B1: 2.87442  Sterimol/B2: 2.95519  Sterimol/B3: 3.97684
  Sterimol/B4: 5.48647  Sterimol/L: 12.5117 
 
 Surface and Volume Properties
  Accessible surface: 403.726  Positive charged surface: 249.013  Negative charged surface: 154.713  Volume: 186.5
  Hydrophobic surface: 337.693  Hydrophilic surface: 66.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.