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NCID-ZINC01707483

 MMsINC code: MMs02335707
Type: Neutral
Formula: C18H28O2
SMILES:   OC1(CCC(CC1)C(CC)(CC)c1ccc(O)cc1)C
InChI:   InChI=1/C18H28O2/c1-4-18(5-2,14-6-8-16(19)9-7-14)15-10-12-17(3,20)13-11-15/h6-9,15,19-20H,4-5,10-13H2,1-3H3/t15-,17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.42 g/mol  logS: -4.90266  SlogP: 4.3912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243199  Sterimol/B1: 2.0146  Sterimol/B2: 2.42528  Sterimol/B3: 6.32487
  Sterimol/B4: 7.08058  Sterimol/L: 13.8613 
 
 Surface and Volume Properties
  Accessible surface: 501.523  Positive charged surface: 344.087  Negative charged surface: 157.437  Volume: 294.875
  Hydrophobic surface: 355.916  Hydrophilic surface: 145.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.