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NCID-ZINC05106029

 MMsINC code: MMs02442202
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.785 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: 0.111235  Sterimol/B1: 2.15525  Sterimol/B2: 3.79294  Sterimol/B3: 4.59857
  Sterimol/B4: 7.43915  Sterimol/L: 18.1317 
 
 Surface and Volume Properties
  Accessible surface: 621.003  Positive charged surface: 433.361  Negative charged surface: 187.641  Volume: 382.25
  Hydrophobic surface: 533.144  Hydrophilic surface: 87.859
 
 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.