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NCID-ZINC05759926

 MMsINC code: MMs02495756
Type: Neutral
Formula: C24H28N2O6
SMILES:   O(C(=O)C(NC(=O)C)C(C(C(NC(=O)C)C(OC)=O)c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C24H28N2O6/c1-15(27)25-21(23(29)31-3)19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)22(24(30)32-4)26-16(2)28/h5-14,19-22H,1-4H3,(H,25,27)(H,26,28)/t19-,20-,21+,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=214.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.496 g/mol  logS: -4.1746  SlogP: 1.9094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.457779  Sterimol/B1: 2.42026  Sterimol/B2: 3.52901  Sterimol/B3: 8.19145
  Sterimol/B4: 8.53083  Sterimol/L: 12.0765 
 
 Surface and Volume Properties
  Accessible surface: 676.03  Positive charged surface: 469.454  Negative charged surface: 206.577  Volume: 414.375
  Hydrophobic surface: 581.02  Hydrophilic surface: 95.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.