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CHEMBRIDGE-ZINC00186007

 MMsINC code: MMs00593988
Type: Neutral
Formula: C15H16ClNO2S
SMILES:   Clc1c2c(sc1C(=O)NCC1OCCC1)cc(cc2)C
InChI:   InChI=1/C15H16ClNO2S/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(18)17-8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=47.5693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.817 g/mol  logS: -5.08759  SlogP: 3.77192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210513  Sterimol/B1: 2.49188  Sterimol/B2: 2.92786  Sterimol/B3: 3.23822
  Sterimol/B4: 6.9394  Sterimol/L: 17.4058 
 
 Surface and Volume Properties
  Accessible surface: 540.297  Positive charged surface: 313.61  Negative charged surface: 221.651  Volume: 278.75
  Hydrophobic surface: 494.44  Hydrophilic surface: 45.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.