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CHEMBLOCK-ZINC01089616

MMsINC code: MMs00516012

Type: Neutral
Formula: C24H22N2O3
SMILES:   O=C(c1c(cc(cc1C)C)C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N
InChI:   InChI=1/C24H22N2O3/c1-14-12-15(2)21(16(3)13-14)22(27)17-8-10-18(11-9-17)24(29)26-20-7-5-4-6-19(20)23(25)28/h4-13H,1-3H3,(H2,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=123.519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -7.10156  SlogP: 4.19406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078845  Sterimol/B1: 2.96935  Sterimol/B2: 3.40032  Sterimol/B3: 5.60648
  Sterimol/B4: 7.75265  Sterimol/L: 18.8277 
 
 Surface and Volume Properties
  Accessible surface: 660.931  Positive charged surface: 376.953  Negative charged surface: 283.978  Volume: 378.75
  Hydrophobic surface: 515.361  Hydrophilic surface: 145.57
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.