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ENAMINE-ZINC04891967

 MMsINC code: MMs01562262
Type: Neutral
Formula: C19H23N3O4S
SMILES:   S(CC(=O)NCc1ccc(cc1)C(OC)=O)c1oc(nn1)C1CCCCC1
InChI:   InChI=1/C19H23N3O4S/c1-25-18(24)15-9-7-13(8-10-15)11-20-16(23)12-27-19-22-21-17(26-19)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=53.5132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.476 g/mol  logS: -6.45104  SlogP: 3.5788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300756  Sterimol/B1: 2.27003  Sterimol/B2: 3.37292  Sterimol/B3: 4.13292
  Sterimol/B4: 7.78389  Sterimol/L: 23.2672 
 
 Surface and Volume Properties
  Accessible surface: 691.283  Positive charged surface: 459.967  Negative charged surface: 231.316  Volume: 362.125
  Hydrophobic surface: 501.271  Hydrophilic surface: 190.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.