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ENAMINE-ZINC05419955

 MMsINC code: MMs01610933
Type: Neutral
Formula: C22H23N3O4
SMILES:   O=C1N(CCCC(=O)NCC(=O)Nc2cccc(C)c2C)C(=O)c2c1cccc2
InChI:   InChI=1/C22H23N3O4/c1-14-7-5-10-18(15(14)2)24-20(27)13-23-19(26)11-6-12-25-21(28)16-8-3-4-9-17(16)22(25)29/h3-5,7-10H,6,11-13H2,1-2H3,(H,23,26)(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.443 g/mol  logS: -4.82181  SlogP: 2.43454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212209  Sterimol/B1: 3.24283  Sterimol/B2: 3.92949  Sterimol/B3: 4.08196
  Sterimol/B4: 5.55511  Sterimol/L: 23.2064 
 
 Surface and Volume Properties
  Accessible surface: 692.843  Positive charged surface: 424.618  Negative charged surface: 268.225  Volume: 373.875
  Hydrophobic surface: 530.994  Hydrophilic surface: 161.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.