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PUBCHEM-ZINC06754940

 MMsINC code: MMs03851334
Type: Neutral
Formula: C24H27NO3
SMILES:   O1C2C(N(C(=O)C(CC3OC3)Cc3ccccc3)C1(C)C)c1c(C2)cccc1
InChI:   InChI=1/C24H27NO3/c1-24(2)25(22-20-11-7-6-10-17(20)14-21(22)28-24)23(26)18(13-19-15-27-19)12-16-8-4-3-5-9-16/h3-11,18-19,21-22H,12-15H2,1-2H3/t18-,19+,21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.484 g/mol  logS: -4.68985  SlogP: 3.99054  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.211574  Sterimol/B1: 2.41759  Sterimol/B2: 4.21351  Sterimol/B3: 4.94978
  Sterimol/B4: 7.91297  Sterimol/L: 16.3762 
 
 Surface and Volume Properties
  Accessible surface: 619.95  Positive charged surface: 355.178  Negative charged surface: 264.773  Volume: 378.75
  Hydrophobic surface: 548.222  Hydrophilic surface: 71.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.