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PUBCHEM-ZINC04565603

 MMsINC code: MMs03134861
Type: Neutral
Formula: C23H27NO8S
SMILES:   S(OC1C2OC(OCC2OC(OCc2ccccc2)C1NC(=O)C)c1ccccc1)(=O)(=O)C
InChI:   InChI=1/C23H27NO8S/c1-15(25)24-19-21(32-33(2,26)27)20-18(14-29-22(31-20)17-11-7-4-8-12-17)30-23(19)28-13-16-9-5-3-6-10-16/h3-12,18-23H,13-14H2,1-2H3,(H,24,25)/t18-,19+,20+,21-,22+,23+/m1/s1

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Potential Energy
Epot(MMFF94)=101.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.534 g/mol  logS: -4.3017  SlogP: 2.2537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15713  Sterimol/B1: 2.52266  Sterimol/B2: 3.6721  Sterimol/B3: 7.31836
  Sterimol/B4: 7.37073  Sterimol/L: 18.5967 
 
 Surface and Volume Properties
  Accessible surface: 720.94  Positive charged surface: 413.184  Negative charged surface: 307.757  Volume: 425.875
  Hydrophobic surface: 599.525  Hydrophilic surface: 121.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.