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PUBCHEM-ZINC05283593

 MMsINC code: MMs03231856
Type: Neutral
Formula: C20H22N4O5
SMILES:   O(c1cc(NC(=O)C)c(NC(=O)C)cc1)c1cc(NC(=O)C)c(NC(=O)C)cc1
InChI:   InChI=1/C20H22N4O5/c1-11(25)21-17-7-5-15(9-19(17)23-13(3)27)29-16-6-8-18(22-12(2)26)20(10-16)24-14(4)28/h5-10H,1-4H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.419 g/mol  logS: -4.00539  SlogP: 3.3125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873796  Sterimol/B1: 2.52951  Sterimol/B2: 2.73845  Sterimol/B3: 5.92695
  Sterimol/B4: 8.97863  Sterimol/L: 17.4154 
 
 Surface and Volume Properties
  Accessible surface: 695.019  Positive charged surface: 431.143  Negative charged surface: 263.876  Volume: 367.875
  Hydrophobic surface: 520.342  Hydrophilic surface: 174.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.