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OAKWOOD-ZINC04299053

 MMsINC code: MMs02552607
Type: Neutral
Formula: C11H15ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChI:   InChI=1/C11H15ClN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-7-5-10(13)6-8-14/h1-4,10H,5-8,13H2

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Potential Energy
Epot(MMFF94)=13.4282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.772 g/mol  logS: -2.27647  SlogP: 1.4518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293696  Sterimol/B1: 2.48932  Sterimol/B2: 4.51639  Sterimol/B3: 4.69899
  Sterimol/B4: 5.05265  Sterimol/L: 12.1148 
 
 Surface and Volume Properties
  Accessible surface: 449.518  Positive charged surface: 250.621  Negative charged surface: 198.896  Volume: 236
  Hydrophobic surface: 331.738  Hydrophilic surface: 117.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02552608
OAKWOOD-ZINC04299053