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CHEMDIV-ZINC04571619

 MMsINC code: MMs00938108
Type: Neutral
Formula: C24H36N2O3S
SMILES:   s1cccc1CC(=O)N(CC1OCCC1)C1(CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H36N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h8,12,16,19-20H,1-7,9-11,13-15,17-18H2,(H,25,28)/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=167.505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.629 g/mol  logS: -5.10303  SlogP: 4.44997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274921  Sterimol/B1: 3.15099  Sterimol/B2: 3.9724  Sterimol/B3: 5.98874
  Sterimol/B4: 10.9923  Sterimol/L: 14.8087 
 
 Surface and Volume Properties
  Accessible surface: 695.064  Positive charged surface: 489.225  Negative charged surface: 205.839  Volume: 428.125
  Hydrophobic surface: 669.768  Hydrophilic surface: 25.296
 
 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.