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NCID-ZINC05355080

 MMsINC code: MMs02454646
Type: Neutral
Formula: C24H28O3
SMILES:   OC(=O)c1ccc(cc1)\C=C\C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.485 g/mol  logS: -7.97207  SlogP: 5.8759  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0375704  Sterimol/B1: 1.969  Sterimol/B2: 3.62398  Sterimol/B3: 3.62474
  Sterimol/B4: 8.75021  Sterimol/L: 18.5808 
 
 Surface and Volume Properties
  Accessible surface: 672.815  Positive charged surface: 391.556  Negative charged surface: 281.259  Volume: 382
  Hydrophobic surface: 437.796  Hydrophilic surface: 235.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02454647
NCID-ZINC05355080