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PUBCHEM-ZINC05736071

 MMsINC code: MMs03365958
Type: Neutral
Formula: C17H24O2
SMILES:   O(C)c1cccc(C2C3CC(C2)C(C)C3(C)C)c1O
InChI:   InChI=1/C17H24O2/c1-10-11-8-13(14(9-11)17(10,2)3)12-6-5-7-15(19-4)16(12)18/h5-7,10-11,13-14,18H,8-9H2,1-4H3/t10-,11-,13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.377 g/mol  logS: -5.66668  SlogP: 4.1865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210121  Sterimol/B1: 2.39452  Sterimol/B2: 3.40463  Sterimol/B3: 5.61444
  Sterimol/B4: 6.01896  Sterimol/L: 12.5834 
 
 Surface and Volume Properties
  Accessible surface: 469.954  Positive charged surface: 342.593  Negative charged surface: 127.362  Volume: 273.125
  Hydrophobic surface: 391.264  Hydrophilic surface: 78.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.