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NCID-ZINC05409428

 MMsINC code: MMs02459589
Type: Neutral
Formula: C24H32O3
SMILES:   O1C=C(C=CC1=O)C1CC=C2C3C(CCC12C)C1(C(CC(O)CC1)CC3)C
InChI:   InChI=1/C24H32O3/c1-23-11-9-17(25)13-16(23)4-5-18-20-7-6-19(15-3-8-22(26)27-14-15)24(20,2)12-10-21(18)23/h3,7-8,14,16-19,21,25H,4-6,9-13H2,1-2H3/t16-,17-,18-,19+,21-,23+,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.517 g/mol  logS: -6.8082  SlogP: 4.9232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203207  Sterimol/B1: 2.04259  Sterimol/B2: 4.71342  Sterimol/B3: 5.48825
  Sterimol/B4: 6.4653  Sterimol/L: 14.5458 
 
 Surface and Volume Properties
  Accessible surface: 567.45  Positive charged surface: 385.455  Negative charged surface: 181.995  Volume: 364.875
  Hydrophobic surface: 426.343  Hydrophilic surface: 141.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.