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ASINEX-ZINC01807094

 MMsINC code: MMs00258101
Type: Neutral
Formula: C20H22N4O4
SMILES:   O=C(N)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)N
InChI:   InChI=1/C20H22N4O4/c21-19(27)13-7-1-3-9-15(13)23-17(25)11-5-6-12-18(26)24-16-10-4-2-8-14(16)20(22)28/h1-4,7-10H,5-6,11-12H2,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.4004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.42 g/mol  logS: -4.25502  SlogP: 2.022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00624936  Sterimol/B1: 2.78352  Sterimol/B2: 2.96954  Sterimol/B3: 3.23882
  Sterimol/B4: 6.76354  Sterimol/L: 20.612 
 
 Surface and Volume Properties
  Accessible surface: 674.543  Positive charged surface: 429.398  Negative charged surface: 245.145  Volume: 356
  Hydrophobic surface: 425.707  Hydrophilic surface: 248.836
 
 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.