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PUBCHEM-ZINC02472299

 MMsINC code: MMs02888657
Type: Neutral
Formula: C25H18N2O
SMILES:   O(C)c1ccc(cc1)-c1cc(nc2c1c1c(cc2)cccc1)-c1cccnc1
InChI:   InChI=1/C25H18N2O/c1-28-20-11-8-18(9-12-20)22-15-24(19-6-4-14-26-16-19)27-23-13-10-17-5-2-3-7-21(17)25(22)23/h2-16H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.432 g/mol  logS: -7.4651  SlogP: 6.1256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465327  Sterimol/B1: 2.24258  Sterimol/B2: 2.70234  Sterimol/B3: 4.57582
  Sterimol/B4: 10.3035  Sterimol/L: 16.3535 
 
 Surface and Volume Properties
  Accessible surface: 611.097  Positive charged surface: 385.322  Negative charged surface: 205.983  Volume: 354.125
  Hydrophobic surface: 564.526  Hydrophilic surface: 46.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.