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NCID-ZINC01632935

 MMsINC code: MMs02277376
Type: Neutral
Formula: C22H18O3
SMILES:   O1C2(c3c(cccc3)C1(C(O)C2O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C22H18O3/c23-19-20(24)22(16-11-5-2-6-12-16)18-14-8-7-13-17(18)21(19,25-22)15-9-3-1-4-10-15/h1-14,19-20,23-24H/t19-,20+,21-,22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.383 g/mol  logS: -4.90304  SlogP: 3.5624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234009  Sterimol/B1: 2.83502  Sterimol/B2: 4.01569  Sterimol/B3: 4.36802
  Sterimol/B4: 6.70155  Sterimol/L: 15.0372 
 
 Surface and Volume Properties
  Accessible surface: 547.111  Positive charged surface: 319.072  Negative charged surface: 228.039  Volume: 320.375
  Hydrophobic surface: 483.731  Hydrophilic surface: 63.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02277377
NCID-ZINC01632935