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NCID-ZINC01630788

 MMsINC code: MMs02275927
Type: Neutral
Formula: C26H19N3O2
SMILES:   OC(C(=O)c1[nH]c2c(c1)cccc2)(c1[nH]c2c(c1)cccc2)c1[nH]c2c(c1)
cccc2
InChI:   InChI=1/C26H19N3O2/c30-25(22-13-16-7-1-4-10-19(16)27-22)26(31,23-14-17-8-2-5-11-20(17)28-23)24-15-18-9-3-6-12-21(18)29-24/h1-15,27-29,31H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.7317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.457 g/mol  logS: -6.35151  SlogP: 5.5608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139862  Sterimol/B1: 3.07961  Sterimol/B2: 3.36199  Sterimol/B3: 4.40541
  Sterimol/B4: 10.0732  Sterimol/L: 17.3044 
 
 Surface and Volume Properties
  Accessible surface: 677.431  Positive charged surface: 340.829  Negative charged surface: 319.938  Volume: 387.125
  Hydrophobic surface: 607.331  Hydrophilic surface: 70.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.