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ACROSORGANICS-ZINC04118742

 MMsINC code: MMs00016644
Type: Neutral
Formula: C25H20O
SMILES:   Oc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.14 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.434 g/mol  logS: -6.42423  SlogP: 5.7749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.798048  Sterimol/B1: 2.35361  Sterimol/B2: 3.01442  Sterimol/B3: 8.22995
  Sterimol/B4: 9.33109  Sterimol/L: 12.0317 
 
 Surface and Volume Properties
  Accessible surface: 573.256  Positive charged surface: 329.906  Negative charged surface: 243.35  Volume: 342.75
  Hydrophobic surface: 521.401  Hydrophilic surface: 51.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs00016645
ACROSORGANICS-ZINC04118742