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ASINEX-ZINC04849628

 MMsINC code: MMs00380010
Type: Neutral
Formula: C18H28N4O5
SMILES:   O(CCN(C(=O)CCC(=O)Nc1nccc(c1)C)CC(=O)NCCOC)C
InChI:   InChI=1/C18H28N4O5/c1-14-6-7-19-15(12-14)21-16(23)4-5-18(25)22(9-11-27-3)13-17(24)20-8-10-26-2/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,24)(H,19,21,23)

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Potential Energy
Epot(MMFF94)=69.1871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.445 g/mol  logS: -1.40228  SlogP: 0.34632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386157  Sterimol/B1: 2.95453  Sterimol/B2: 3.00092  Sterimol/B3: 4.23348
  Sterimol/B4: 9.4388  Sterimol/L: 21.6124 
 
 Surface and Volume Properties
  Accessible surface: 727.655  Positive charged surface: 593.183  Negative charged surface: 134.472  Volume: 375.25
  Hydrophobic surface: 590.942  Hydrophilic surface: 136.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.