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ASINEX-ZINC04712892

 MMsINC code: MMs00362347
Type: Neutral
Formula: C20H38N4O4
SMILES:   O=C(NC1CC(N(O)C(C1)(C)C)(C)C)C(=O)NC1CC(N(O)C(C1)(C)C)(C)C
InChI:   InChI=1/C20H38N4O4/c1-17(2)9-13(10-18(3,4)23(17)27)21-15(25)16(26)22-14-11-19(5,6)24(28)20(7,8)12-14/h13-14,27-28H,9-12H2,1-8H3,(H,21,25)(H,22,26)

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Potential Energy
Epot(MMFF94)=102.023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.548 g/mol  logS: -2.79878  SlogP: 2.0404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052135  Sterimol/B1: 2.17469  Sterimol/B2: 3.20578  Sterimol/B3: 4.93516
  Sterimol/B4: 6.38192  Sterimol/L: 18.1433 
 
 Surface and Volume Properties
  Accessible surface: 678.729  Positive charged surface: 475.51  Negative charged surface: 203.219  Volume: 401.875
  Hydrophobic surface: 406.138  Hydrophilic surface: 272.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.