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NCID-ZINC01684339

 MMsINC code: MMs02317788
Type: Neutral
Formula: C11H14FNO4
SMILES:   Fc1ccc(NC2OC(CO)C(O)C2O)cc1
InChI:   InChI=1/C11H14FNO4/c12-6-1-3-7(4-2-6)13-11-10(16)9(15)8(5-14)17-11/h1-4,8-11,13-16H,5H2/t8-,9+,10+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=85.1452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.234 g/mol  logS: -1.04091  SlogP: -0.3234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141047  Sterimol/B1: 2.50912  Sterimol/B2: 4.4118  Sterimol/B3: 4.82588
  Sterimol/B4: 5.13351  Sterimol/L: 12.926 
 
 Surface and Volume Properties
  Accessible surface: 446.15  Positive charged surface: 287.46  Negative charged surface: 158.691  Volume: 212.25
  Hydrophobic surface: 288.863  Hydrophilic surface: 157.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02317789
NCID-ZINC01684339