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ENAMINE-ZINC05798084

 MMsINC code: MMs01640376
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.2194 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: 0.0492162  Sterimol/B1: 2.88699  Sterimol/B2: 3.24424  Sterimol/B3: 5.13695
  Sterimol/B4: 5.90694  Sterimol/L: 20.6468 
 
 Surface and Volume Properties
  Accessible surface: 664.633  Positive charged surface: 382.879  Negative charged surface: 281.754  Volume: 365
  Hydrophobic surface: 473.801  Hydrophilic surface: 190.832
 
 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.