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NCID-ZINC04773499

 MMsINC code: MMs02403354
Type: Neutral
Formula: C13H14FNO4
SMILES:   Fc1cc2n(ccc2cc1)C1OC(CO)C(O)C1O
InChI:   InChI=1/C13H14FNO4/c14-8-2-1-7-3-4-15(9(7)5-8)13-12(18)11(17)10(6-16)19-13/h1-5,10-13,16-18H,6H2/t10-,11+,12-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.256 g/mol  logS: -1.42836  SlogP: 0.4874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847448  Sterimol/B1: 3.33383  Sterimol/B2: 3.61451  Sterimol/B3: 3.7124
  Sterimol/B4: 5.33899  Sterimol/L: 13.7437 
 
 Surface and Volume Properties
  Accessible surface: 462.629  Positive charged surface: 278.814  Negative charged surface: 177.43  Volume: 234
  Hydrophobic surface: 308.41  Hydrophilic surface: 154.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02403355
NCID-ZINC04773499