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ENAMINE-ZINC01598994

 MMsINC code: MMs01242907
Type: Neutral
Formula: C9H12ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCCC)cc1
InChI:   InChI=1/C9H12ClNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3

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Potential Energy
Epot(MMFF94)=0.22614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.719 g/mol  logS: -2.48613  SlogP: 2.0283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128061  Sterimol/B1: 2.89773  Sterimol/B2: 2.96087  Sterimol/B3: 4.46998
  Sterimol/B4: 6.06977  Sterimol/L: 13.1385 
 
 Surface and Volume Properties
  Accessible surface: 428.562  Positive charged surface: 209.978  Negative charged surface: 218.583  Volume: 201.375
  Hydrophobic surface: 322.204  Hydrophilic surface: 106.358
 
 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.