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PUBCHEM-ZINC05276759

 MMsINC code: MMs03230595
Type: Neutral
Formula: C19H30O
SMILES:   OC1CCC2C3C(CCC12C)C1(C(CCCC1)=CC3)C
InChI:   InChI=1/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h6,14-17,20H,3-5,7-12H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -5.27484  SlogP: 4.7002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168765  Sterimol/B1: 2.08689  Sterimol/B2: 3.96915  Sterimol/B3: 4.28634
  Sterimol/B4: 5.27856  Sterimol/L: 13.8883 
 
 Surface and Volume Properties
  Accessible surface: 478.478  Positive charged surface: 371.487  Negative charged surface: 106.991  Volume: 296.125
  Hydrophobic surface: 398.536  Hydrophilic surface: 79.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.