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PUBCHEM-ZINC05112527

 MMsINC code: MMs03200963
Type: Neutral
Formula: C6H10ClNO2S
SMILES:   Cl\C=C\CSCC(N)C(O)=O
InChI:   InChI=1/C6H10ClNO2S/c7-2-1-3-11-4-5(8)6(9)10/h1-2,5H,3-4,8H2,(H,9,10)/b2-1+/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=28.47 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.67 g/mol  logS: -1.30747  SlogP: 0.9929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700058  Sterimol/B1: 2.54551  Sterimol/B2: 2.75596  Sterimol/B3: 3.18702
  Sterimol/B4: 4.55832  Sterimol/L: 13.7752 
 
 Surface and Volume Properties
  Accessible surface: 395.016  Positive charged surface: 202.561  Negative charged surface: 192.454  Volume: 169.5
  Hydrophobic surface: 205.295  Hydrophilic surface: 189.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.