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NCID-ZINC05831713

 MMsINC code: MMs02503719
Type: Neutral
Formula: C23H27NO5S
SMILES:   S(=O)(C(C(O)C1OC(OC1)(C)C)C1=NOC(C1c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C23H27NO5S/c1-23(2)27-14-17(28-23)20(25)22(30(3)26)19-18(15-10-6-4-7-11-15)21(29-24-19)16-12-8-5-9-13-16/h4-13,17-18,20-22,25H,14H2,1-3H3/t17-,18-,20-,21+,22-,30+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.537 g/mol  logS: -4.97272  SlogP: 3.2527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.448176  Sterimol/B1: 2.1224  Sterimol/B2: 3.85101  Sterimol/B3: 8.12325
  Sterimol/B4: 8.68455  Sterimol/L: 14.2723 
 
 Surface and Volume Properties
  Accessible surface: 646.443  Positive charged surface: 403.114  Negative charged surface: 243.329  Volume: 404.5
  Hydrophobic surface: 549.28  Hydrophilic surface: 97.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.