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PUBCHEM-ZINC04095967

 MMsINC code: MMs03089647
Type: Neutral
Formula: C19H30O
SMILES:   O=C1CC2CCC3C(CCC4(C3CCC4)C)C2(CC1)C
InChI:   InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17+,18+,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -7.14507  SlogP: 4.9883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213609  Sterimol/B1: 2.58296  Sterimol/B2: 3.06982  Sterimol/B3: 4.83148
  Sterimol/B4: 5.74024  Sterimol/L: 13.1635 
 
 Surface and Volume Properties
  Accessible surface: 473.374  Positive charged surface: 345.747  Negative charged surface: 127.626  Volume: 294
  Hydrophobic surface: 400.1  Hydrophilic surface: 73.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.