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CHEMBLOCK-ZINC01430174

 MMsINC code: MMs00523309
Type: Neutral
Formula: C5H10ClNO3S
SMILES:   ClCS(=O)(=O)N1CCOCC1
InChI:   InChI=1/C5H10ClNO3S/c6-5-11(8,9)7-1-3-10-4-2-7/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.9494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.658 g/mol  logS: -0.23684  SlogP: -0.1553  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.333412  Sterimol/B1: 2.32009  Sterimol/B2: 2.62726  Sterimol/B3: 3.60984
  Sterimol/B4: 4.84415  Sterimol/L: 10.344 
 
 Surface and Volume Properties
  Accessible surface: 344.887  Positive charged surface: 203.444  Negative charged surface: 141.443  Volume: 157.75
  Hydrophobic surface: 194.447  Hydrophilic surface: 150.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.