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ASINEX-ZINC00911400

 MMsINC code: MMs00216596
Type: Neutral
Formula: C24H20N2O4
SMILES:   O(C)c1ccc(cc1)C(NC(=O)CN1C(=O)c2c(cccc2)C1=O)c1ccccc1
InChI:   InChI=1/C24H20N2O4/c1-30-18-13-11-17(12-14-18)22(16-7-3-2-4-8-16)25-21(27)15-26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,22H,15H2,1H3,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.6525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -5.69348  SlogP: 3.2925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818106  Sterimol/B1: 2.31747  Sterimol/B2: 3.00757  Sterimol/B3: 4.99052
  Sterimol/B4: 9.28616  Sterimol/L: 19.5035 
 
 Surface and Volume Properties
  Accessible surface: 687.92  Positive charged surface: 402.787  Negative charged surface: 285.133  Volume: 377.75
  Hydrophobic surface: 569.283  Hydrophilic surface: 118.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.