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PUBCHEM-ZINC00511858

 MMsINC code: MMs02696271
Type: Neutral
Formula: C18H20O3
SMILES:   O(C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(CC)C
InChI:   InChI=1/C18H20O3/c1-4-13(2)14-5-11-17(12-6-14)21-18(19)15-7-9-16(20-3)10-8-15/h5-13H,4H2,1-3H3/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.355 g/mol  logS: -5.5689  SlogP: 4.4279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324397  Sterimol/B1: 2.44382  Sterimol/B2: 3.32108  Sterimol/B3: 3.7919
  Sterimol/B4: 5.07795  Sterimol/L: 19.2327 
 
 Surface and Volume Properties
  Accessible surface: 563.895  Positive charged surface: 370.408  Negative charged surface: 193.487  Volume: 294
  Hydrophobic surface: 481.954  Hydrophilic surface: 81.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.