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NCID-ZINC05217408

 MMsINC code: MMs02449808
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(=O)(=O)(N1CCCCC1C)CCCC
InChI:   InChI=1/C10H21NO2S/c1-3-4-9-14(12,13)11-8-6-5-7-10(11)2/h10H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -1.60014  SlogP: 1.9907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760953  Sterimol/B1: 3.00632  Sterimol/B2: 3.56881  Sterimol/B3: 3.8231
  Sterimol/B4: 4.58887  Sterimol/L: 14.1277 
 
 Surface and Volume Properties
  Accessible surface: 436.341  Positive charged surface: 315.302  Negative charged surface: 121.039  Volume: 218.25
  Hydrophobic surface: 349.782  Hydrophilic surface: 86.559
 
 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.