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CHEMDIV-ZINC04089200

 MMsINC code: MMs00925511
Type: Neutral
Formula: C24H23NO5
SMILES:   O1c2c(c3occ(c3c(c2)C)C)C(C)=C(CC(=O)NCc2cc(OC)ccc2)C1=O
InChI:   InChI=1/C24H23NO5/c1-13-8-19-22(23-21(13)14(2)12-29-23)15(3)18(24(27)30-19)10-20(26)25-11-16-6-5-7-17(9-16)28-4/h5-9,12H,10-11H2,1-4H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.45 g/mol  logS: -7.06348  SlogP: 4.72364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226042  Sterimol/B1: 2.64919  Sterimol/B2: 3.29283  Sterimol/B3: 3.96274
  Sterimol/B4: 6.55238  Sterimol/L: 21.2458 
 
 Surface and Volume Properties
  Accessible surface: 689.568  Positive charged surface: 432.948  Negative charged surface: 250.845  Volume: 384.125
  Hydrophobic surface: 582.657  Hydrophilic surface: 106.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.