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NCID-ZINC05106028

 MMsINC code: MMs02442201
Type: Neutral
Formula: C24H36O3
SMILES:   O(C(=O)C)C1CC=2C(C3C(C4CCC(C(=O)C)C4(CC3)C)CC=2C)(CC1)C
InChI:   InChI=1/C24H36O3/c1-14-12-18-20-7-6-19(15(2)25)23(20,4)11-9-21(18)24(5)10-8-17(13-22(14)24)27-16(3)26/h17-21H,6-13H2,1-5H3/t17-,18+,19-,20-,21-,23+,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.549 g/mol  logS: -6.11673  SlogP: 5.4762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116719  Sterimol/B1: 2.12663  Sterimol/B2: 3.50839  Sterimol/B3: 4.39398
  Sterimol/B4: 8.43623  Sterimol/L: 16.9458 
 
 Surface and Volume Properties
  Accessible surface: 610.536  Positive charged surface: 427.119  Negative charged surface: 183.416  Volume: 384
  Hydrophobic surface: 531.355  Hydrophilic surface: 79.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.