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ASINEX-ZINC00885223

 MMsINC code: MMs00207733
Type: Neutral
Formula: C24H20O4
SMILES:   O(C(=O)C1C(C(C(O)=O)C1c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H20O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-15,19-22H,(H,25,26)/t19-,20-,21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.42 g/mol  logS: -4.79654  SlogP: 4.4902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202538  Sterimol/B1: 2.81042  Sterimol/B2: 3.00931  Sterimol/B3: 4.72659
  Sterimol/B4: 9.19529  Sterimol/L: 13.9329 
 
 Surface and Volume Properties
  Accessible surface: 618.658  Positive charged surface: 326.109  Negative charged surface: 256.358  Volume: 358.75
  Hydrophobic surface: 528.941  Hydrophilic surface: 89.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00207734
ASINEX-ZINC00885223