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ENAMINE-ZINC06840236

 MMsINC code: MMs01702425
Type: Neutral
Formula: C24H29NO3S
SMILES:   S(C(c1ccccc1)c1ccccc1)CC(OCC(=O)NC1CCCCC1C)=O
InChI:   InChI=1/C24H29NO3S/c1-18-10-8-9-15-21(18)25-22(26)16-28-23(27)17-29-24(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,18,21,24H,8-10,15-17H2,1H3,(H,25,26)/t18-,21+/m0/s1

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Potential Energy
Epot(MMFF94)=97.0432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.566 g/mol  logS: -6.37187  SlogP: 4.8428  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0570549  Sterimol/B1: 2.60627  Sterimol/B2: 4.67959  Sterimol/B3: 5.71365
  Sterimol/B4: 6.19847  Sterimol/L: 20.2449 
 
 Surface and Volume Properties
  Accessible surface: 734.296  Positive charged surface: 461.213  Negative charged surface: 273.084  Volume: 411
  Hydrophobic surface: 620.944  Hydrophilic surface: 113.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.