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CHEMBLOCK-ZINC01434225

 MMsINC code: MMs00524894
Type: Neutral
Formula: C7H16N2O2S
SMILES:   S(=O)(=O)(NC1CCCCC1)NC
InChI:   InChI=1/C7H16N2O2S/c1-8-12(10,11)9-7-5-3-2-4-6-7/h7-9H,2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-44.57 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.283 g/mol  logS: -0.56743  SlogP: 0.3729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145586  Sterimol/B1: 2.86181  Sterimol/B2: 2.88145  Sterimol/B3: 3.50947
  Sterimol/B4: 5.19735  Sterimol/L: 11.2415 
 
 Surface and Volume Properties
  Accessible surface: 378.554  Positive charged surface: 280.397  Negative charged surface: 98.1574  Volume: 177.625
  Hydrophobic surface: 272.079  Hydrophilic surface: 106.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.