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PUBCHEM-ZINC06203866

 MMsINC code: MMs03611440
Type: Neutral
Formula: C24H38O2
SMILES:   O(CCCC)C=1CCC2(C3C(C4CCC(O)(C)C4(CC3)C)CC=C2C=1)C
InChI:   InChI=1/C24H38O2/c1-5-6-15-26-18-9-12-22(2)17(16-18)7-8-19-20(22)10-13-23(3)21(19)11-14-24(23,4)25/h7,16,19-21,25H,5-6,8-15H2,1-4H3/t19-,20-,21-,22-,23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.566 g/mol  logS: -5.58114  SlogP: 6.0107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608965  Sterimol/B1: 3.21903  Sterimol/B2: 3.71279  Sterimol/B3: 3.82316
  Sterimol/B4: 5.41555  Sterimol/L: 19.3666 
 
 Surface and Volume Properties
  Accessible surface: 630.65  Positive charged surface: 472.817  Negative charged surface: 157.833  Volume: 384.375
  Hydrophobic surface: 511.317  Hydrophilic surface: 119.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.