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ASINEX-ZINC04384429

 MMsINC code: MMs00329141
Type: Neutral
Formula: C11H8FNO3
SMILES:   Fc1ccc(cc1)-c1oc(C)c(n1)C(O)=O
InChI:   InChI=1/C11H8FNO3/c1-6-9(11(14)15)13-10(16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.187 g/mol  logS: -3.61576  SlogP: 2.48732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00662565  Sterimol/B1: 2.10267  Sterimol/B2: 2.40609  Sterimol/B3: 2.51199
  Sterimol/B4: 6.27862  Sterimol/L: 13.2361 
 
 Surface and Volume Properties
  Accessible surface: 414.317  Positive charged surface: 218.008  Negative charged surface: 196.309  Volume: 192.5
  Hydrophobic surface: 293.791  Hydrophilic surface: 120.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00329142
ASINEX-ZINC04384429