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ENAMINE-ZINC03566549

 MMsINC code: MMs01511795
Type: Neutral
Formula: C24H19NO6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(Oc1cc2OC(=O)C=C(c2cc1)C)=
O
InChI:   InChI=1/C24H19NO6S/c1-16-14-23(26)31-22-15-19(10-13-21(16)22)30-24(27)17-8-11-20(12-9-17)32(28,29)25(2)18-6-4-3-5-7-18/h3-15H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.483 g/mol  logS: -6.95288  SlogP: 4.0532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622419  Sterimol/B1: 2.96161  Sterimol/B2: 3.86114  Sterimol/B3: 5.82301
  Sterimol/B4: 6.40018  Sterimol/L: 20.0859 
 
 Surface and Volume Properties
  Accessible surface: 702.824  Positive charged surface: 380.923  Negative charged surface: 321.9  Volume: 397.625
  Hydrophobic surface: 555.603  Hydrophilic surface: 147.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.