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ASINEX-ZINC02875757

 MMsINC code: MMs00279993
Type: Neutral
Formula: C18H22N2O4S
SMILES:   S(=O)(=O)(NCC(OC(=O)Nc1ccc(cc1)C)C)c1ccc(cc1)C
InChI:   InChI=1/C18H22N2O4S/c1-13-4-8-16(9-5-13)20-18(21)24-15(3)12-19-25(22,23)17-10-6-14(2)7-11-17/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=37.7245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.45 g/mol  logS: -4.57116  SlogP: 3.21894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725853  Sterimol/B1: 3.64481  Sterimol/B2: 4.49002  Sterimol/B3: 4.58737
  Sterimol/B4: 6.3081  Sterimol/L: 19.4879 
 
 Surface and Volume Properties
  Accessible surface: 650.587  Positive charged surface: 374.817  Negative charged surface: 275.77  Volume: 340.75
  Hydrophobic surface: 505.849  Hydrophilic surface: 144.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.