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PUBCHEM-ZINC05881481

 MMsINC code: MMs03426688
Type: Neutral
Formula: C19H24O2
SMILES:   O=C1CCC2C3C(CCC12C)c1c(cc(cc1)CO)CC3
InChI:   InChI=1/C19H24O2/c1-19-9-8-15-14-4-2-12(11-20)10-13(14)3-5-16(15)17(19)6-7-18(19)21/h2,4,10,15-17,20H,3,5-9,11H2,1H3/t15-,16-,17-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.399 g/mol  logS: -4.24555  SlogP: 3.87047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790238  Sterimol/B1: 2.03515  Sterimol/B2: 3.80061  Sterimol/B3: 4.62806
  Sterimol/B4: 4.89072  Sterimol/L: 15.0306 
 
 Surface and Volume Properties
  Accessible surface: 498.829  Positive charged surface: 345.546  Negative charged surface: 153.282  Volume: 289.125
  Hydrophobic surface: 382.294  Hydrophilic surface: 116.535
 
 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.