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PUBCHEM-ZINC05587273

 MMsINC code: MMs03314871
Type: Neutral
Formula: C25H23N3O2
SMILES:   Oc1ccc(cc1)\C=N\NC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1
InChI:   InChI=1/C25H23N3O2/c1-17-18(2)28(16-20-6-4-3-5-7-20)24-13-10-21(14-23(17)24)25(30)27-26-15-19-8-11-22(29)12-9-19/h3-15,29H,16H2,1-2H3,(H,27,30)/b26-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.478 g/mol  logS: -5.60187  SlogP: 5.04234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031718  Sterimol/B1: 2.23564  Sterimol/B2: 3.26803  Sterimol/B3: 4.34795
  Sterimol/B4: 9.6132  Sterimol/L: 21.1024 
 
 Surface and Volume Properties
  Accessible surface: 703.45  Positive charged surface: 405.16  Negative charged surface: 292.485  Volume: 397.25
  Hydrophobic surface: 561.081  Hydrophilic surface: 142.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.