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PUBCHEM-ZINC02739604

 MMsINC code: MMs02914267
Type: Neutral
Formula: C12H18ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)N(CCCC)CC)cc1
InChI:   InChI=1/C12H18ClNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=16.3218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.8 g/mol  logS: -3.40414  SlogP: 3.1507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189951  Sterimol/B1: 2.31217  Sterimol/B2: 2.54522  Sterimol/B3: 5.08864
  Sterimol/B4: 8.81995  Sterimol/L: 12.0783 
 
 Surface and Volume Properties
  Accessible surface: 483.944  Positive charged surface: 264.045  Negative charged surface: 219.899  Volume: 256.875
  Hydrophobic surface: 387.659  Hydrophilic surface: 96.285
 
 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.