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PUBCHEM-ZINC02553638

 MMsINC code: MMs02900193
Type: Neutral
Formula: C24H23N3O3
SMILES:   O(Cc1ccccc1)c1cc(ccc1)\C=N\NC(=O)CNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C24H23N3O3/c1-18-7-5-11-21(13-18)24(29)25-16-23(28)27-26-15-20-10-6-12-22(14-20)30-17-19-8-3-2-4-9-19/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28)/b26-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -6.00292  SlogP: 3.72052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103166  Sterimol/B1: 3.30562  Sterimol/B2: 3.61574  Sterimol/B3: 3.61931
  Sterimol/B4: 5.72978  Sterimol/L: 26.3732 
 
 Surface and Volume Properties
  Accessible surface: 765.187  Positive charged surface: 446.307  Negative charged surface: 318.88  Volume: 398
  Hydrophobic surface: 623.29  Hydrophilic surface: 141.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.