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NCID-ZINC01666804

 MMsINC code: MMs02302936
Type: Neutral
Formula: C26H20O4
SMILES:   o1c(-c2ccccc2)c(C(=O)c2cc(C)c(cc2)C)c(C(O)=O)c1-c1ccccc1
InChI:   InChI=1/C26H20O4/c1-16-13-14-20(15-17(16)2)23(27)21-22(26(28)29)25(19-11-7-4-8-12-19)30-24(21)18-9-5-3-6-10-18/h3-15H,1-2H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.442 g/mol  logS: -8.76394  SlogP: 6.15964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102723  Sterimol/B1: 2.28482  Sterimol/B2: 3.3066  Sterimol/B3: 6.43422
  Sterimol/B4: 9.20554  Sterimol/L: 16.7541 
 
 Surface and Volume Properties
  Accessible surface: 662.575  Positive charged surface: 348.834  Negative charged surface: 313.741  Volume: 384.125
  Hydrophobic surface: 560.283  Hydrophilic surface: 102.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules


MMs02302937
NCID-ZINC01666804