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NCID-ZINC01751056

 MMsINC code: MMs02362144
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)=99.8069 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: 0.0651491  Sterimol/B1: 3.00844  Sterimol/B2: 3.53429  Sterimol/B3: 3.61213
  Sterimol/B4: 5.95504  Sterimol/L: 13.3668 
 
 Surface and Volume Properties
  Accessible surface: 455.522  Positive charged surface: 266.09  Negative charged surface: 183.304  Volume: 232.125
  Hydrophobic surface: 297.084  Hydrophilic surface: 158.438
 
 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


MMs02362145
NCID-ZINC01751056