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PUBCHEM-ZINC05275729

 MMsINC code: MMs03230036
Type: Neutral
Formula: C19H30O
SMILES:   O=C1C2CCC3C(CCC4(C3CCC4)C)C2(CCC1)C
InChI:   InChI=1/C19H30O/c1-18-10-3-5-14(18)13-7-8-16-17(20)6-4-11-19(16,2)15(13)9-12-18/h13-16H,3-12H2,1-2H3/t13-,14-,15+,16+,18-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -6.83162  SlogP: 4.9883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307472  Sterimol/B1: 3.32756  Sterimol/B2: 3.4484  Sterimol/B3: 5.17708
  Sterimol/B4: 5.29055  Sterimol/L: 12.2314 
 
 Surface and Volume Properties
  Accessible surface: 464.69  Positive charged surface: 336.105  Negative charged surface: 128.585  Volume: 294.875
  Hydrophobic surface: 397.646  Hydrophilic surface: 67.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.