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PUBCHEM-ZINC05761649

 MMsINC code: MMs03374954
Type: Neutral
Formula: C24H34O2
SMILES:   O(CC1(C2CCc3c(ccc(c3)C(C)C)C2(CCC1)C)C)C(=O)C(C)=C
InChI:   InChI=1/C24H34O2/c1-16(2)18-8-10-20-19(14-18)9-11-21-23(5,12-7-13-24(20,21)6)15-26-22(25)17(3)4/h8,10,14,16,21H,3,7,9,11-13,15H2,1-2,4-6H3/t21-,23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.534 g/mol  logS: -7.29687  SlogP: 5.93957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783953  Sterimol/B1: 2.44264  Sterimol/B2: 3.37181  Sterimol/B3: 5.92465
  Sterimol/B4: 6.10899  Sterimol/L: 18.7561 
 
 Surface and Volume Properties
  Accessible surface: 629.329  Positive charged surface: 413.078  Negative charged surface: 216.251  Volume: 380.75
  Hydrophobic surface: 491.067  Hydrophilic surface: 138.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.