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NCID-ZINC01565995

 MMsINC code: MMs02227430
Type: Neutral
Formula: C18H26O2
SMILES:   O1c2c(CCC1(C)C)c1c(OC(CC1)(C)C)c(C)c2C
InChI:   InChI=1/C18H26O2/c1-11-12(2)16-14(8-10-18(5,6)20-16)13-7-9-17(3,4)19-15(11)13/h7-10H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.7996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.404 g/mol  logS: -3.8867  SlogP: 4.51058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102446  Sterimol/B1: 2.24379  Sterimol/B2: 3.29205  Sterimol/B3: 3.61543
  Sterimol/B4: 7.22014  Sterimol/L: 13.903 
 
 Surface and Volume Properties
  Accessible surface: 513.237  Positive charged surface: 369.815  Negative charged surface: 143.422  Volume: 290.875
  Hydrophobic surface: 440.706  Hydrophilic surface: 72.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.