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ENAMINE-ZINC05129575

 MMsINC code: MMs01591797
Type: Neutral
Formula: C19H19N3O3S
SMILES:   S(CC(=O)c1[nH]ccc1)C1=Nc2c(cccc2)C(=O)N1CC1OCCC1
InChI:   InChI=1/C19H19N3O3S/c23-17(16-8-3-9-20-16)12-26-19-21-15-7-2-1-6-14(15)18(24)22(19)11-13-5-4-10-25-13/h1-3,6-9,13,20H,4-5,10-12H2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=57.0573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.445 g/mol  logS: -4.52371  SlogP: 3.2531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443144  Sterimol/B1: 2.4092  Sterimol/B2: 3.39274  Sterimol/B3: 3.70463
  Sterimol/B4: 10.4286  Sterimol/L: 16.3949 
 
 Surface and Volume Properties
  Accessible surface: 624.428  Positive charged surface: 385.019  Negative charged surface: 239.408  Volume: 339.75
  Hydrophobic surface: 481.644  Hydrophilic surface: 142.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.