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ASINEX-ZINC00384653

 MMsINC code: MMs00127949
Type: Neutral
Formula: C12H16ClNO3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2)cc1OCC
InChI:   InChI=1/C12H16ClNO3S/c1-2-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=33.1524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.783 g/mol  logS: -2.9627  SlogP: 2.5232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121266  Sterimol/B1: 2.47795  Sterimol/B2: 3.58367  Sterimol/B3: 4.56219
  Sterimol/B4: 7.2602  Sterimol/L: 13.418 
 
 Surface and Volume Properties
  Accessible surface: 493.29  Positive charged surface: 292.008  Negative charged surface: 201.282  Volume: 254.75
  Hydrophobic surface: 410.382  Hydrophilic surface: 82.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.