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PUBCHEM-ZINC02890414

 MMsINC code: MMs02954995
Type: Neutral
Formula: C19H25N3O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)N2CCCCC2)CC1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C19H25N3O4S2/c23-27(24,19-9-8-17-6-2-3-7-18(17)16-19)20-12-14-22(15-13-20)28(25,26)21-10-4-1-5-11-21/h2-3,6-9,16H,1,4-5,10-15H2

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Potential Energy
Epot(MMFF94)=31.4763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.558 g/mol  logS: -3.73622  SlogP: 1.8768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442797  Sterimol/B1: 2.6171  Sterimol/B2: 3.60747  Sterimol/B3: 4.81965
  Sterimol/B4: 5.7333  Sterimol/L: 20.0068 
 
 Surface and Volume Properties
  Accessible surface: 650.911  Positive charged surface: 403.545  Negative charged surface: 236.295  Volume: 372.625
  Hydrophobic surface: 549.146  Hydrophilic surface: 101.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.