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NCID-ZINC05217430

 MMsINC code: MMs02449817
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(=O)(=O)(N1CC(CCC1)C)CCCC
InChI:   InChI=1/C10H21NO2S/c1-3-4-8-14(12,13)11-7-5-6-10(2)9-11/h10H,3-9H2,1-2H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.03654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -1.4747  SlogP: 1.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659374  Sterimol/B1: 2.95027  Sterimol/B2: 3.58785  Sterimol/B3: 3.96353
  Sterimol/B4: 4.49745  Sterimol/L: 14.3372 
 
 Surface and Volume Properties
  Accessible surface: 446.887  Positive charged surface: 327.329  Negative charged surface: 119.559  Volume: 221
  Hydrophobic surface: 351.325  Hydrophilic surface: 95.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.