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ENAMINE-ZINC05798086

 MMsINC code: MMs01640377
Type: Neutral
Formula: C20H23N3O3S
SMILES:   s1cccc1CNC(=O)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C20H23N3O3S/c1-13(2)14-6-8-15(9-7-14)20(3)18(25)23(19(26)22-20)12-17(24)21-11-16-5-4-10-27-16/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.3951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.488 g/mol  logS: -5.3811  SlogP: 3.5328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661372  Sterimol/B1: 2.34643  Sterimol/B2: 3.15394  Sterimol/B3: 4.38829
  Sterimol/B4: 9.24791  Sterimol/L: 18.6923 
 
 Surface and Volume Properties
  Accessible surface: 661.697  Positive charged surface: 385.701  Negative charged surface: 275.996  Volume: 364.625
  Hydrophobic surface: 472.486  Hydrophilic surface: 189.211
 
 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.