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ENAMINE-ZINC03367019

 MMsINC code: MMs01399251
Type: Neutral
Formula: C24H26N2O5
SMILES:   O=C1N(CCc2ccccc2)C(=O)c2c1cc(cc2)C(OCC(=O)NCCC(C)C)=O
InChI:   InChI=1/C24H26N2O5/c1-16(2)10-12-25-21(27)15-31-24(30)18-8-9-19-20(14-18)23(29)26(22(19)28)13-11-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -5.87782  SlogP: 2.84437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104511  Sterimol/B1: 2.40568  Sterimol/B2: 2.7179  Sterimol/B3: 4.02132
  Sterimol/B4: 5.50333  Sterimol/L: 26.8365 
 
 Surface and Volume Properties
  Accessible surface: 762.073  Positive charged surface: 473.267  Negative charged surface: 288.806  Volume: 407.625
  Hydrophobic surface: 554.586  Hydrophilic surface: 207.487
 
 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.