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ENAMINE-ZINC05958819

 MMsINC code: MMs01648714
Type: Neutral
Formula: C24H28N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)C23CC4(CC(C2)CC(C4)C3)c2ccc(cc2)C)cc
1
InChI:   InChI=1/C24H28N2O3S/c1-16-2-4-19(5-3-16)23-11-17-10-18(12-23)14-24(13-17,15-23)22(27)26-20-6-8-21(9-7-20)30(25,28)29/h2-9,17-18H,10-15H2,1H3,(H,26,27)(H2,25,28,29)/t17-,18+,23+,24-

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Potential Energy
Epot(MMFF94)=89.2064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.565 g/mol  logS: -7.18753  SlogP: 4.11912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503363  Sterimol/B1: 2.36076  Sterimol/B2: 3.40929  Sterimol/B3: 3.94831
  Sterimol/B4: 8.90657  Sterimol/L: 19.9064 
 
 Surface and Volume Properties
  Accessible surface: 672.727  Positive charged surface: 413.128  Negative charged surface: 259.599  Volume: 394.875
  Hydrophobic surface: 517.071  Hydrophilic surface: 155.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01648715
ENAMINE-ZINC05958819