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ENAMINE-ZINC03395710

 MMsINC code: MMs01416807
Type: Neutral
Formula: C19H26N2O4S
SMILES:   s1c2c(CCCC2)c(C(OCC(=O)N2CCCCC2C)=O)c1NC(=O)C
InChI:   InChI=1/C19H26N2O4S/c1-12-7-5-6-10-21(12)16(23)11-25-19(24)17-14-8-3-4-9-15(14)26-18(17)20-13(2)22/h12H,3-11H2,1-2H3,(H,20,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=93.9105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.493 g/mol  logS: -4.17782  SlogP: 3.14304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889265  Sterimol/B1: 2.23658  Sterimol/B2: 4.41246  Sterimol/B3: 6.29915
  Sterimol/B4: 8.49493  Sterimol/L: 16.743 
 
 Surface and Volume Properties
  Accessible surface: 651.96  Positive charged surface: 462.878  Negative charged surface: 189.083  Volume: 355.625
  Hydrophobic surface: 539.736  Hydrophilic surface: 112.224
 
 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.