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ASINEX-ZINC04375484

 MMsINC code: MMs00328142
Type: Neutral
Formula: C11H16N2O3S
SMILES:   S1CC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChI:   InChI=1/C11H16N2O3S/c14-9(12-8-4-2-1-3-5-8)6-13-10(15)7-17-11(13)16/h8H,1-7H2,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.10702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.326 g/mol  logS: -2.88482  SlogP: 1.1307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0723318  Sterimol/B1: 3.32353  Sterimol/B2: 3.43683  Sterimol/B3: 3.66762
  Sterimol/B4: 4.57827  Sterimol/L: 14.1341 
 
 Surface and Volume Properties
  Accessible surface: 468.035  Positive charged surface: 302.479  Negative charged surface: 165.556  Volume: 231.875
  Hydrophobic surface: 293.188  Hydrophilic surface: 174.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.