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FDA-ZINC03830820

 MMsINC code: MMs01726736
Type: Neutral
Formula: C23H30O3
SMILES:   O(C)c1cc(C)c(\C=C\C(=C\C=C\C(=C\C(OCC)=O)\C)\C)c(C)c1C
InChI:   InChI=1/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.49 g/mol  logS: -7.81729  SlogP: 5.64556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023191  Sterimol/B1: 2.82606  Sterimol/B2: 3.48304  Sterimol/B3: 4.53934
  Sterimol/B4: 5.82089  Sterimol/L: 23.3815 
 
 Surface and Volume Properties
  Accessible surface: 704.137  Positive charged surface: 473.444  Negative charged surface: 230.693  Volume: 383
  Hydrophobic surface: 645.485  Hydrophilic surface: 58.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.