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PUBCHEM-ZINC05275852

 MMsINC code: MMs03230111
Type: Neutral
Formula: C19H30O3
SMILES:   OC1CC2(C(C1)C1C(CC2)C2(C(CC(O)CC2)C(=O)C1)C)C
InChI:   InChI=1/C19H30O3/c1-18-5-4-14-13(15(18)8-12(21)10-18)9-17(22)16-7-11(20)3-6-19(14,16)2/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,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)=112.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.446 g/mol  logS: -3.5154  SlogP: 2.9299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173808  Sterimol/B1: 2.33626  Sterimol/B2: 2.44388  Sterimol/B3: 5.71237
  Sterimol/B4: 6.66643  Sterimol/L: 13.7614 
 
 Surface and Volume Properties
  Accessible surface: 500.88  Positive charged surface: 368.35  Negative charged surface: 132.53  Volume: 306.875
  Hydrophobic surface: 334.952  Hydrophilic surface: 165.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.