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FDA-ZINC03831199

 MMsINC code: MMs01727136
Type: Neutral
Formula: C29H24N4O8
SMILES:   O(C(=O)c1cccnc1)CC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c
1cccnc1
InChI:   InChI=1/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 556.531 g/mol  logS: -3.21315  SlogP: 2.9808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139882  Sterimol/B1: 2.48596  Sterimol/B2: 3.82143  Sterimol/B3: 4.34404
  Sterimol/B4: 12.4605  Sterimol/L: 14.9452 
 
 Surface and Volume Properties
  Accessible surface: 889.068  Positive charged surface: 585.405  Negative charged surface: 303.664  Volume: 503.75
  Hydrophobic surface: 690.792  Hydrophilic surface: 198.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.