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ENAMINE-ZINC06848432

 MMsINC code: MMs01704909
Type: Neutral
Formula: C8H10ClNO2S
SMILES:   Clc1cc(S(=O)(=O)NCC)ccc1
InChI:   InChI=1/C8H10ClNO2S/c1-2-10-13(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3

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Potential Energy
Epot(MMFF94)=-3.07845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.692 g/mol  logS: -2.28436  SlogP: 1.6382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153782  Sterimol/B1: 2.41386  Sterimol/B2: 4.46313  Sterimol/B3: 4.90311
  Sterimol/B4: 5.02075  Sterimol/L: 11.3984 
 
 Surface and Volume Properties
  Accessible surface: 399.84  Positive charged surface: 184.694  Negative charged surface: 215.147  Volume: 184.625
  Hydrophobic surface: 293.749  Hydrophilic surface: 106.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.