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ENAMINE-ZINC06113756

 MMsINC code: MMs01657789
Type: Neutral
Formula: C19H20FNO5
SMILES:   Fc1cc(OC)ccc1C(OC(C(=O)NCc1ccc(OC)cc1)C)=O
InChI:   InChI=1/C19H20FNO5/c1-12(18(22)21-11-13-4-6-14(24-2)7-5-13)26-19(23)16-9-8-15(25-3)10-17(16)20/h4-10,12H,11H2,1-3H3,(H,21,22)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.7655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.369 g/mol  logS: -4.43003  SlogP: 2.971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382812  Sterimol/B1: 2.19906  Sterimol/B2: 3.10556  Sterimol/B3: 4.709
  Sterimol/B4: 5.64902  Sterimol/L: 22.5402 
 
 Surface and Volume Properties
  Accessible surface: 647.594  Positive charged surface: 429.198  Negative charged surface: 218.396  Volume: 335.25
  Hydrophobic surface: 531.46  Hydrophilic surface: 116.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.