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MAYBRIDGE-ZINC01034350

 MMsINC code: MMs02150748
Type: Neutral
Formula: C25H24N2O4
SMILES:   O1CCCOc2c1cc(cc2)C(=O)Nc1cccnc1Oc1c2c(CCC2)c(cc1)C
InChI:   InChI=1/C25H24N2O4/c1-16-8-10-21(19-6-2-5-18(16)19)31-25-20(7-3-12-26-25)27-24(28)17-9-11-22-23(15-17)30-14-4-13-29-22/h3,7-12,15H,2,4-6,13-14H2,1H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -6.16356  SlogP: 5.08456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083658  Sterimol/B1: 2.67843  Sterimol/B2: 3.5955  Sterimol/B3: 5.91203
  Sterimol/B4: 8.50443  Sterimol/L: 19.4977 
 
 Surface and Volume Properties
  Accessible surface: 704.456  Positive charged surface: 493.745  Negative charged surface: 210.71  Volume: 397.375
  Hydrophobic surface: 644.912  Hydrophilic surface: 59.544
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.