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PUBCHEM-ZINC06067824

 MMsINC code: MMs03520786
Type: Neutral
Formula: C19H28O
SMILES:   OC1CC2=CCC3C(CCC4(C3CC=C4)C)C2(CC1)C
InChI:   InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,5,9,14-17,20H,4,6-8,10-12H2,1-2H3/t14-,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)=118.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.432 g/mol  logS: -5.05087  SlogP: 4.4762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126696  Sterimol/B1: 2.03428  Sterimol/B2: 3.46866  Sterimol/B3: 4.88715
  Sterimol/B4: 5.23484  Sterimol/L: 14.4402 
 
 Surface and Volume Properties
  Accessible surface: 474.887  Positive charged surface: 346.704  Negative charged surface: 128.183  Volume: 290.125
  Hydrophobic surface: 355.699  Hydrophilic surface: 119.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.