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PUBCHEM-ZINC01363513

 MMsINC code: MMs02799724
Type: Neutral
Formula: C18H25ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N2CC(CCC2)C(=O)NCC2OCCC2)ccc1C
InChI:   InChI=1/C18H25ClN2O4S/c1-13-6-7-16(10-17(13)19)26(23,24)21-8-2-4-14(12-21)18(22)20-11-15-5-3-9-25-15/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3,(H,20,22)/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=42.0294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.927 g/mol  logS: -3.36965  SlogP: 2.34432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399343  Sterimol/B1: 2.53656  Sterimol/B2: 2.56371  Sterimol/B3: 5.14755
  Sterimol/B4: 7.11411  Sterimol/L: 19.9195 
 
 Surface and Volume Properties
  Accessible surface: 659.418  Positive charged surface: 414.469  Negative charged surface: 244.949  Volume: 359.25
  Hydrophobic surface: 558.686  Hydrophilic surface: 100.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.