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ENAMINE-ZINC04477446

 MMsINC code: MMs01540508
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(C)c1cc(ccc1)CNC(=O)CN1C(=O)C(NC1=O)(C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H23N3O4/c1-24(20-12-6-9-17-8-3-4-11-19(17)20)22(29)27(23(30)26-24)15-21(28)25-14-16-7-5-10-18(13-16)31-2/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,30)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.39 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -5.99833  SlogP: 3.5097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497374  Sterimol/B1: 2.06781  Sterimol/B2: 4.49151  Sterimol/B3: 5.92584
  Sterimol/B4: 5.97604  Sterimol/L: 20.3408 
 
 Surface and Volume Properties
  Accessible surface: 696.997  Positive charged surface: 428.421  Negative charged surface: 259.671  Volume: 393.5
  Hydrophobic surface: 541.548  Hydrophilic surface: 155.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.