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NCID-ZINC01677730

 MMsINC code: MMs02312686
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+/m0/s1

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Potential Energy
Epot(MMFF94)=34.562 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: 0.0457979  Sterimol/B1: 2.91799  Sterimol/B2: 3.64475  Sterimol/B3: 3.82919
  Sterimol/B4: 4.28837  Sterimol/L: 14.5721 
 
 Surface and Volume Properties
  Accessible surface: 459.55  Positive charged surface: 211.242  Negative charged surface: 248.308  Volume: 214.5
  Hydrophobic surface: 317.757  Hydrophilic surface: 141.793
 
 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.