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CHEMDIV-ZINC00186009

 MMsINC code: MMs00836740
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-/m0/s1

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Potential Energy
Epot(MMFF94)=47.8192 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: 0.0178214  Sterimol/B1: 2.41302  Sterimol/B2: 2.91051  Sterimol/B3: 3.22569
  Sterimol/B4: 7.01101  Sterimol/L: 17.3255 
 
 Surface and Volume Properties
  Accessible surface: 538.924  Positive charged surface: 312.561  Negative charged surface: 221.326  Volume: 279.375
  Hydrophobic surface: 492.751  Hydrophilic surface: 46.173
 
 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.