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PUBCHEM-ZINC04533314

 MMsINC code: MMs03130653
Type: Neutral
Formula: C19H24O2
SMILES:   O(C)c1cc2CCC3C4C(CCC3c2cc1)C(=O)CCC4
InChI:   InChI=1/C19H24O2/c1-21-13-6-8-14-12(11-13)5-7-17-15-3-2-4-19(20)18(15)10-9-16(14)17/h6,8,11,15-18H,2-5,7,9-10H2,1H3/t15-,16-,17+,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.6772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.399 g/mol  logS: -4.83836  SlogP: 4.12037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052765  Sterimol/B1: 3.0783  Sterimol/B2: 3.53598  Sterimol/B3: 4.2808
  Sterimol/B4: 4.98555  Sterimol/L: 16.2543 
 
 Surface and Volume Properties
  Accessible surface: 505.66  Positive charged surface: 373.67  Negative charged surface: 131.99  Volume: 289.75
  Hydrophobic surface: 458.301  Hydrophilic surface: 47.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.