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ENAMINE-ZINC06941446

 MMsINC code: MMs01715165
Type: Neutral
Formula: C19H18O3
SMILES:   o1c2c(cc(OC)cc2)c(C)c1C(=O)c1ccc(cc1)CC
InChI:   InChI=1/C19H18O3/c1-4-13-5-7-14(8-6-13)18(20)19-12(2)16-11-15(21-3)9-10-17(16)22-19/h5-11H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.6903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.35 g/mol  logS: -6.25593  SlogP: 4.54319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156705  Sterimol/B1: 2.06611  Sterimol/B2: 2.51542  Sterimol/B3: 3.44549
  Sterimol/B4: 6.82856  Sterimol/L: 17.955 
 
 Surface and Volume Properties
  Accessible surface: 563.096  Positive charged surface: 357.864  Negative charged surface: 199.001  Volume: 293.375
  Hydrophobic surface: 499.092  Hydrophilic surface: 64.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.