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ASINEX-ZINC00752706

 MMsINC code: MMs00156647
Type: Neutral
Formula: C23H25NO4S
SMILES:   S(=O)(=O)(Nc1cc2c3c(oc2cc1)CC(CC3=O)(C)C)c1c(cc(cc1C)C)C
InChI:   InChI=1/C23H25NO4S/c1-13-8-14(2)22(15(3)9-13)29(26,27)24-16-6-7-19-17(10-16)21-18(25)11-23(4,5)12-20(21)28-19/h6-10,24H,11-12H2,1-5H3

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Potential Energy
Epot(MMFF94)=96.5454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.522 g/mol  logS: -7.04274  SlogP: 5.31393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161149  Sterimol/B1: 2.11325  Sterimol/B2: 3.2677  Sterimol/B3: 5.64639
  Sterimol/B4: 9.34263  Sterimol/L: 15.2767 
 
 Surface and Volume Properties
  Accessible surface: 634.939  Positive charged surface: 385.988  Negative charged surface: 246.308  Volume: 382.625
  Hydrophobic surface: 490.423  Hydrophilic surface: 144.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.