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MAYBRIDGE-ZINC03170826

 MMsINC code: MMs02161968
Type: Neutral
Formula: C11H23NOS
SMILES:   S(C(C)(C)C)CCNC(=O)C(C)(C)C
InChI:   InChI=1/C11H23NOS/c1-10(2,3)9(13)12-7-8-14-11(4,5)6/h7-8H2,1-6H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.2261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.377 g/mol  logS: -2.34929  SlogP: 2.6804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818712  Sterimol/B1: 2.94857  Sterimol/B2: 3.62422  Sterimol/B3: 3.62422
  Sterimol/B4: 3.88054  Sterimol/L: 14.9983 
 
 Surface and Volume Properties
  Accessible surface: 479.187  Positive charged surface: 327.035  Negative charged surface: 152.152  Volume: 238.625
  Hydrophobic surface: 319.883  Hydrophilic surface: 159.304
 
 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.