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PUBCHEM-ZINC02001698

 MMsINC code: MMs02843771
Type: Neutral
Formula: C24H35NO2
SMILES:   O1c2cc(ccc2OC1)CN(C\C=C(/CC\C=C(/CCC=C(C)C)\C)\C)C
InChI:   InChI=1/C24H35NO2/c1-19(2)8-6-9-20(3)10-7-11-21(4)14-15-25(5)17-22-12-13-23-24(16-22)27-18-26-23/h8,10,12-14,16H,6-7,9,11,15,17-18H2,1-5H3/b20-10+,21-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.3719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.549 g/mol  logS: -6.07618  SlogP: 6.5327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547008  Sterimol/B1: 2.81875  Sterimol/B2: 5.14656  Sterimol/B3: 5.73798
  Sterimol/B4: 5.75422  Sterimol/L: 21.7816 
 
 Surface and Volume Properties
  Accessible surface: 737.428  Positive charged surface: 527.163  Negative charged surface: 210.265  Volume: 409.125
  Hydrophobic surface: 636.825  Hydrophilic surface: 100.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02843772
PUBCHEM-ZINC02001698