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ASINEX-ZINC04854482

 MMsINC code: MMs00383448
Type: Neutral
Formula: C27H20O4
SMILES:   O1C(=C\C(=C/c2c3c(cc4c2cccc4)cccc3)\C1=O)c1cc(OC)ccc1OC
InChI:   InChI=1/C27H20O4/c1-29-20-11-12-25(30-2)24(16-20)26-15-19(27(28)31-26)14-23-21-9-5-3-7-17(21)13-18-8-4-6-10-22(18)23/h3-16H,1-2H3/b19-14-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.453 g/mol  logS: -8.94686  SlogP: 5.9915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057764  Sterimol/B1: 2.0219  Sterimol/B2: 4.58353  Sterimol/B3: 5.39198
  Sterimol/B4: 7.39282  Sterimol/L: 18.1316 
 
 Surface and Volume Properties
  Accessible surface: 673.503  Positive charged surface: 422.384  Negative charged surface: 233.814  Volume: 389.75
  Hydrophobic surface: 628.517  Hydrophilic surface: 44.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.