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ENAMINE-ZINC04863892

 MMsINC code: MMs01558540
Type: Neutral
Formula: C18H26N2O5S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)CCN1CCC(CC1)C
InChI:   InChI=1/C18H26N2O5S/c1-11-5-8-20(9-6-11)10-7-13(21)19-16-14(17(22)24-3)12(2)15(26-16)18(23)25-4/h11H,5-10H2,1-4H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=74.2077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.481 g/mol  logS: -3.67801  SlogP: 2.69022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233643  Sterimol/B1: 3.13909  Sterimol/B2: 3.37695  Sterimol/B3: 5.68096
  Sterimol/B4: 7.66359  Sterimol/L: 18.7301 
 
 Surface and Volume Properties
  Accessible surface: 680.986  Positive charged surface: 509.626  Negative charged surface: 171.36  Volume: 355.625
  Hydrophobic surface: 556.219  Hydrophilic surface: 124.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01558541
ENAMINE-ZINC04863892