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IBS-ZINC02315037

 MMsINC code: MMs01830405
Type: Neutral
Formula: C10H13Cl2NO3S
SMILES:   Clc1cc(Cl)ccc1OS(=O)(=O)CCN(C)C
InChI:   InChI=1/C10H13Cl2NO3S/c1-13(2)5-6-17(14,15)16-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=63.2037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.19 g/mol  logS: -3.02482  SlogP: 2.2636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.116026  Sterimol/B1: 2.86135  Sterimol/B2: 3.5887  Sterimol/B3: 4.82285
  Sterimol/B4: 5.49736  Sterimol/L: 13.3479 
 
 Surface and Volume Properties
  Accessible surface: 465.563  Positive charged surface: 240.803  Negative charged surface: 224.76  Volume: 240.25
  Hydrophobic surface: 392.132  Hydrophilic surface: 73.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs01830406
IBS-ZINC02315037