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NCID-ZINC01761392

 MMsINC code: MMs02367474
Type: Neutral
Formula: C18H30N2O4S
SMILES:   S1CC(N(C=O)C1(C)C)C(=O)NC(C(C)C)C(OC1CCCCC1)=O
InChI:   InChI=1/C18H30N2O4S/c1-12(2)15(17(23)24-13-8-6-5-7-9-13)19-16(22)14-10-25-18(3,4)20(14)11-21/h11-15H,5-10H2,1-4H3,(H,19,22)/t14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.514 g/mol  logS: -4.18713  SlogP: 2.313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679705  Sterimol/B1: 2.51865  Sterimol/B2: 3.56447  Sterimol/B3: 4.17425
  Sterimol/B4: 7.17487  Sterimol/L: 18.0785 
 
 Surface and Volume Properties
  Accessible surface: 625.852  Positive charged surface: 438.907  Negative charged surface: 186.946  Volume: 358.25
  Hydrophobic surface: 438.299  Hydrophilic surface: 187.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.