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PUBCHEM-ZINC04127665

 MMsINC code: MMs03093164
Type: Neutral
Formula: C27H21N
SMILES:   [nH]1c2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)cccc2
InChI:   InChI=1/C27H21N/c1-4-13-22(14-5-1)27(23-15-6-2-7-16-23,24-17-8-3-9-18-24)26-20-21-12-10-11-19-25(21)28-26/h1-20,28H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.472 g/mol  logS: -6.91555  SlogP: 6.5506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.517327  Sterimol/B1: 2.51841  Sterimol/B2: 5.53964  Sterimol/B3: 6.35325
  Sterimol/B4: 8.56106  Sterimol/L: 13.2684 
 
 Surface and Volume Properties
  Accessible surface: 615.58  Positive charged surface: 339.791  Negative charged surface: 271.667  Volume: 370.375
  Hydrophobic surface: 610.533  Hydrophilic surface: 5.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.