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NCID-ZINC01590035

 MMsINC code: MMs02245099
Type: Neutral
Formula: C25H24O2S
SMILES:   S(=O)(=O)(CC1C2c3c(C(c4c2cccc4)C1C)cccc3)c1ccc(cc1)C
InChI:   InChI=1/C25H24O2S/c1-16-11-13-18(14-12-16)28(26,27)15-23-17(2)24-19-7-3-5-9-21(19)25(23)22-10-6-4-8-20(22)24/h3-14,17,23-25H,15H2,1-2H3/t17-,23+,24-,25+/m0/s1

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Potential Energy
Epot(MMFF94)=132.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.531 g/mol  logS: -6.75892  SlogP: 5.31202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146184  Sterimol/B1: 4.08918  Sterimol/B2: 4.84045  Sterimol/B3: 5.00294
  Sterimol/B4: 5.9865  Sterimol/L: 17.5237 
 
 Surface and Volume Properties
  Accessible surface: 623.278  Positive charged surface: 348.26  Negative charged surface: 275.017  Volume: 376.875
  Hydrophobic surface: 562.805  Hydrophilic surface: 60.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.