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CHEMDIV-ZINC00172448

 MMsINC code: MMs00835469
Type: Neutral
Formula: C16H18ClNO2S
SMILES:   Clc1c2c(cccc2)c(S(=O)(=O)N2CCC(CC2)C)cc1
InChI:   InChI=1/C16H18ClNO2S/c1-12-8-10-18(11-9-12)21(19,20)16-7-6-15(17)13-4-2-3-5-14(13)16/h2-7,12H,8-11H2,1H3

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Potential Energy
Epot(MMFF94)=58.156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.844 g/mol  logS: -5.17998  SlogP: 3.9138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882687  Sterimol/B1: 2.79447  Sterimol/B2: 4.56615  Sterimol/B3: 4.93911
  Sterimol/B4: 5.16385  Sterimol/L: 14.7581 
 
 Surface and Volume Properties
  Accessible surface: 509.577  Positive charged surface: 272.785  Negative charged surface: 227.625  Volume: 288.75
  Hydrophobic surface: 437.643  Hydrophilic surface: 71.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.