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ENAMINE-ZINC05443911

 MMsINC code: MMs01613514
Type: Neutral
Formula: C24H28N2O3S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)CC(=O)NC(C)C12CC3CC(C1)CC(C2)C
3
InChI:   InChI=1/C24H28N2O3S/c1-15(24-11-16-8-17(12-24)10-18(9-16)13-24)25-22(27)14-26-20-6-2-4-19-5-3-7-21(23(19)20)30(26,28)29/h2-7,15-18H,8-14H2,1H3,(H,25,27)/t15-,16-,17+,18-,24-/m1/s1

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Potential Energy
Epot(MMFF94)=112.702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.565 g/mol  logS: -7.57218  SlogP: 4.0696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633535  Sterimol/B1: 2.97738  Sterimol/B2: 2.99594  Sterimol/B3: 4.71989
  Sterimol/B4: 6.77925  Sterimol/L: 18.1364 
 
 Surface and Volume Properties
  Accessible surface: 642.122  Positive charged surface: 398.173  Negative charged surface: 233.688  Volume: 392.375
  Hydrophobic surface: 533.845  Hydrophilic surface: 108.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.