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ENAMINE-ZINC03566557

 MMsINC code: MMs01511799
Type: Neutral
Formula: C26H23NO6S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1C)C(Oc1cc2OC(=O)C=C(c2cc1)C
)=O
InChI:   InChI=1/C26H23NO6S/c1-4-27(20-8-6-5-7-9-20)34(30,31)24-15-19(11-10-17(24)2)26(29)32-21-12-13-22-18(3)14-25(28)33-23(22)16-21/h5-16H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.537 g/mol  logS: -7.44056  SlogP: 4.75172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124855  Sterimol/B1: 2.57149  Sterimol/B2: 6.22313  Sterimol/B3: 6.72584
  Sterimol/B4: 7.24346  Sterimol/L: 17.0873 
 
 Surface and Volume Properties
  Accessible surface: 726.812  Positive charged surface: 395.761  Negative charged surface: 331.051  Volume: 430.125
  Hydrophobic surface: 574.643  Hydrophilic surface: 152.169
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.