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ASINEX-ZINC00897591

 MMsINC code: MMs00211700
Type: Neutral
Formula: C24H22O5
SMILES:   o1cccc1COC(=O)C1C(C(C(OC)=O)C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H22O5/c1-27-23(25)21-19(16-9-4-2-5-10-16)22(20(21)17-11-6-3-7-12-17)24(26)29-15-18-13-8-14-28-18/h2-14,19-22H,15H2,1H3/t19-,20-,21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.435 g/mol  logS: -4.99601  SlogP: 4.5758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125159  Sterimol/B1: 2.56289  Sterimol/B2: 3.32691  Sterimol/B3: 5.08639
  Sterimol/B4: 7.7722  Sterimol/L: 16.069 
 
 Surface and Volume Properties
  Accessible surface: 636.913  Positive charged surface: 358.27  Negative charged surface: 246.73  Volume: 375.625
  Hydrophobic surface: 573.516  Hydrophilic surface: 63.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.