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NCID-ZINC04806232

 MMsINC code: MMs02409116
Type: Neutral
Formula: C7H10ClNO2S3
SMILES:   ClCC(OS(Sc1scc(n1)C)=O)C
InChI:   InChI=1/C7H10ClNO2S3/c1-5-4-12-7(9-5)13-14(10)11-6(2)3-8/h4,6H,3H2,1-2H3/t6-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=34.3162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.813 g/mol  logS: -3.91066  SlogP: 2.76622  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0413747  Sterimol/B1: 2.85628  Sterimol/B2: 3.65338  Sterimol/B3: 3.78171
  Sterimol/B4: 4.22408  Sterimol/L: 14.5808 
 
 Surface and Volume Properties
  Accessible surface: 457.945  Positive charged surface: 208.52  Negative charged surface: 249.425  Volume: 213.75
  Hydrophobic surface: 313.989  Hydrophilic surface: 143.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.