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PUBCHEM-ZINC05442510

 MMsINC code: MMs03270172
Type: Neutral
Formula: C10H21NOS
SMILES:   S(C(C)C)CCCCCCC(=O)N
InChI:   InChI=1/C10H21NOS/c1-9(2)13-8-6-4-3-5-7-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.97618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.35 g/mol  logS: -2.51785  SlogP: 2.5638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284894  Sterimol/B1: 2.38905  Sterimol/B2: 2.70967  Sterimol/B3: 3.21556
  Sterimol/B4: 4.16026  Sterimol/L: 17.2437 
 
 Surface and Volume Properties
  Accessible surface: 477.216  Positive charged surface: 355.455  Negative charged surface: 121.761  Volume: 220.625
  Hydrophobic surface: 300.137  Hydrophilic surface: 177.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.