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PUBCHEM-ZINC01284215

 MMsINC code: MMs02793618
Type: Neutral
Formula: C19H22O2
SMILES:   O(C(=O)c1ccc(cc1)C(C)C)c1ccc(cc1)CCC
InChI:   InChI=1/C19H22O2/c1-4-5-15-6-12-18(13-7-15)21-19(20)17-10-8-16(9-11-17)14(2)3/h6-14H,4-5H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.8152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.383 g/mol  logS: -6.50766  SlogP: 4.98167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037973  Sterimol/B1: 2.92877  Sterimol/B2: 3.2162  Sterimol/B3: 3.75627
  Sterimol/B4: 3.9608  Sterimol/L: 19.3421 
 
 Surface and Volume Properties
  Accessible surface: 583.013  Positive charged surface: 372.435  Negative charged surface: 210.578  Volume: 302
  Hydrophobic surface: 489.627  Hydrophilic surface: 93.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.