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ASINEX-ZINC01366616

 MMsINC code: MMs00249119
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(C)c1cc2NC(=O)C(=Cc2cc1)CN(C(=O)c1ccccc1C)C1CCCC1
InChI:   InChI=1/C24H26N2O3/c1-16-7-3-6-10-21(16)24(28)26(19-8-4-5-9-19)15-18-13-17-11-12-20(29-2)14-22(17)25-23(18)27/h3,6-7,10-14,19H,4-5,8-9,15H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -5.53948  SlogP: 4.42412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151452  Sterimol/B1: 2.07925  Sterimol/B2: 4.98318  Sterimol/B3: 6.46992
  Sterimol/B4: 7.8015  Sterimol/L: 15.6315 
 
 Surface and Volume Properties
  Accessible surface: 625.017  Positive charged surface: 445.441  Negative charged surface: 179.576  Volume: 381.25
  Hydrophobic surface: 573.102  Hydrophilic surface: 51.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.