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CHEMDIV-ZINC04759740

 MMsINC code: MMs00947888
Type: Neutral
Formula: C27H25FN2O5
SMILES:   Fc1ccc(cc1)CNC(=O)C1CCC(=O)N(C1c1ccc(OC)cc1)c1cc2OCOc2cc1
InChI:   InChI=1/C27H25FN2O5/c1-33-21-9-4-18(5-10-21)26-22(27(32)29-15-17-2-6-19(28)7-3-17)11-13-25(31)30(26)20-8-12-23-24(14-20)35-16-34-23/h2-10,12,14,22,26H,11,13,15-16H2,1H3,(H,29,32)/t22-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=183.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.504 g/mol  logS: -5.47882  SlogP: 4.7256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109459  Sterimol/B1: 2.56167  Sterimol/B2: 3.39539  Sterimol/B3: 5.28862
  Sterimol/B4: 10.7834  Sterimol/L: 18.305 
 
 Surface and Volume Properties
  Accessible surface: 708.873  Positive charged surface: 449.036  Negative charged surface: 259.837  Volume: 431.125
  Hydrophobic surface: 594.938  Hydrophilic surface: 113.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.