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ENAMINE-ZINC03553202

 MMsINC code: MMs01504845
Type: Neutral
Formula: C17H13FN2O4
SMILES:   Fc1cc(OCC(=O)NNC(=O)c2oc3c(c2)cccc3)ccc1
InChI:   InChI=1/C17H13FN2O4/c18-12-5-3-6-13(9-12)23-10-16(21)19-20-17(22)15-8-11-4-1-2-7-14(11)24-15/h1-9H,10H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=84.0389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.299 g/mol  logS: -5.55345  SlogP: 2.4119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00143798  Sterimol/B1: 2.37462  Sterimol/B2: 2.3755  Sterimol/B3: 4.00559
  Sterimol/B4: 4.3618  Sterimol/L: 20.6771 
 
 Surface and Volume Properties
  Accessible surface: 590.558  Positive charged surface: 308.849  Negative charged surface: 275.865  Volume: 289.75
  Hydrophobic surface: 460.455  Hydrophilic surface: 130.103
 
 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: no related molecules available.