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NCID-ZINC04582410

 MMsINC code: MMs02391842
Type: Neutral
Formula: C25H20O
SMILES:   OC(c1ccc(cc1)-c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H20O/c26-25(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,26H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.434 g/mol  logS: -7.11808  SlogP: 5.9493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158872  Sterimol/B1: 3.57367  Sterimol/B2: 4.5635  Sterimol/B3: 5.81063
  Sterimol/B4: 5.87948  Sterimol/L: 15.6153 
 
 Surface and Volume Properties
  Accessible surface: 589.565  Positive charged surface: 304.205  Negative charged surface: 274.696  Volume: 349.5
  Hydrophobic surface: 567.871  Hydrophilic surface: 21.694
 
 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: no related molecules available.