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NCID-ZINC01761963

 MMsINC code: MMs02367865
Type: Neutral
Formula: C18H24O2
SMILES:   O(C)c1ccc2C3CC=C(CC3(CCc2c1C)CO)C
InChI:   InChI=1/C18H24O2/c1-12-4-6-16-15-5-7-17(20-3)13(2)14(15)8-9-18(16,10-12)11-19/h4-5,7,16,19H,6,8-11H2,1-3H3/t16-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.388 g/mol  logS: -3.01511  SlogP: 3.75219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856779  Sterimol/B1: 2.20366  Sterimol/B2: 3.45292  Sterimol/B3: 3.93038
  Sterimol/B4: 6.36887  Sterimol/L: 15.0715 
 
 Surface and Volume Properties
  Accessible surface: 499.638  Positive charged surface: 377.209  Negative charged surface: 122.429  Volume: 284.25
  Hydrophobic surface: 441.015  Hydrophilic surface: 58.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.