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ASINEX-ZINC00630024

 MMsINC code: MMs00143365
Type: Neutral
Formula: C26H21NO2
SMILES:   O=C1N(c2c(cccc2C)C)C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3
InChI:   InChI=1/C26H21NO2/c1-14-8-7-9-15(2)24(14)27-25(28)22-20-16-10-3-4-11-17(16)21(23(22)26(27)29)19-13-6-5-12-18(19)20/h3-13,20-23H,1-2H3/t20-,21+,22-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.64 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.459 g/mol  logS: -5.50369  SlogP: 4.70004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135513  Sterimol/B1: 3.56932  Sterimol/B2: 3.83159  Sterimol/B3: 4.29777
  Sterimol/B4: 7.26223  Sterimol/L: 14.9968 
 
 Surface and Volume Properties
  Accessible surface: 610.829  Positive charged surface: 330.503  Negative charged surface: 280.326  Volume: 366.75
  Hydrophobic surface: 551.646  Hydrophilic surface: 59.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.