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PUBCHEM-ZINC05821476

 MMsINC code: MMs03400518
Type: Neutral
Formula: C20H36N4O5
SMILES:   O1C(COCCCC)C(OCCCC)C(OCCCC)C1n1nc(nc1)C(=O)N
InChI:   InChI=1/C20H36N4O5/c1-4-7-10-26-13-15-16(27-11-8-5-2)17(28-12-9-6-3)20(29-15)24-14-22-19(23-24)18(21)25/h14-17,20H,4-13H2,1-3H3,(H2,21,25)/t15-,16-,17-,20-/m1/s1

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Potential Energy
Epot(MMFF94)=101.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.531 g/mol  logS: -3.69406  SlogP: 2.5572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691338  Sterimol/B1: 2.73902  Sterimol/B2: 5.6444  Sterimol/B3: 6.59732
  Sterimol/B4: 10.772  Sterimol/L: 20.1997 
 
 Surface and Volume Properties
  Accessible surface: 810.195  Positive charged surface: 627.402  Negative charged surface: 182.793  Volume: 416.875
  Hydrophobic surface: 572.892  Hydrophilic surface: 237.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.