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NCID-ZINC01731003

 MMsINC code: MMs02353851
Type: Neutral
Formula: C25H18O2
SMILES:   OC(=O)C(=C(c1ccccc1)c1ccccc1)c1c2c(ccc1)cccc2
InChI:   InChI=1/C25H18O2/c26-25(27)24(22-17-9-15-18-10-7-8-16-21(18)22)23(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-17H,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.417 g/mol  logS: -7.29296  SlogP: 5.70079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239725  Sterimol/B1: 2.43547  Sterimol/B2: 3.40847  Sterimol/B3: 5.56344
  Sterimol/B4: 8.83394  Sterimol/L: 14.7847 
 
 Surface and Volume Properties
  Accessible surface: 588.532  Positive charged surface: 327.716  Negative charged surface: 254.261  Volume: 349.25
  Hydrophobic surface: 523.304  Hydrophilic surface: 65.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02353852
NCID-ZINC01731003