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PUBCHEM-ZINC06398215

 MMsINC code: MMs03707011
Type: Neutral
Formula: C19H32N2O4S
SMILES:   S(=O)(=O)(NC(C(=O)N(CCC)CCC)CO)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H32N2O4S/c1-6-12-21(13-7-2)18(23)17(14-22)20-26(24,25)16-10-8-15(9-11-16)19(3,4)5/h8-11,17,20,22H,6-7,12-14H2,1-5H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=68.7164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.541 g/mol  logS: -4.16444  SlogP: 2.2719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717134  Sterimol/B1: 3.89571  Sterimol/B2: 4.63296  Sterimol/B3: 4.99758
  Sterimol/B4: 6.75515  Sterimol/L: 18.1653 
 
 Surface and Volume Properties
  Accessible surface: 660.713  Positive charged surface: 428.044  Negative charged surface: 232.67  Volume: 379.25
  Hydrophobic surface: 422.201  Hydrophilic surface: 238.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.