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NCID-ZINC05339925

 MMsINC code: MMs02452723
Type: Neutral
Formula: C18H26O2
SMILES:   OC1CC=2C(C3C(C4CCC(=O)C4(CC3)C)CC=2)CC1
InChI:   InChI=1/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-16,19H,3-10H2,1H3/t12-,13+,14-,15-,16-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.1301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.404 g/mol  logS: -2.9957  SlogP: 3.4891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128782  Sterimol/B1: 2.05945  Sterimol/B2: 3.73709  Sterimol/B3: 4.99483
  Sterimol/B4: 5.0429  Sterimol/L: 13.4574 
 
 Surface and Volume Properties
  Accessible surface: 473.225  Positive charged surface: 349.376  Negative charged surface: 123.848  Volume: 281.125
  Hydrophobic surface: 365.367  Hydrophilic surface: 107.858
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.