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ENAMINE-ZINC03897938

 MMsINC code: MMs01530145
Type: Neutral
Formula: C24H20O3
SMILES:   o1c(ccc1\C=C\C(=O)c1ccc(cc1)C)\C=C\C(=O)c1ccc(cc1)C
InChI:   InChI=1/C24H20O3/c1-17-3-7-19(8-4-17)23(25)15-13-21-11-12-22(27-21)14-16-24(26)20-9-5-18(2)6-10-20/h3-16H,1-2H3/b15-13+,16-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.5095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.421 g/mol  logS: -7.39447  SlogP: 5.68864  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00380669  Sterimol/B1: 2.01278  Sterimol/B2: 2.512  Sterimol/B3: 2.51203
  Sterimol/B4: 11.5756  Sterimol/L: 16.8183 
 
 Surface and Volume Properties
  Accessible surface: 678.246  Positive charged surface: 345.155  Negative charged surface: 333.09  Volume: 358
  Hydrophobic surface: 606.908  Hydrophilic surface: 71.338
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.