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PUBCHEM-ZINC06816575

 MMsINC code: MMs03867018
Type: Neutral
Formula: C18H28N4O5
SMILES:   O=C1NC(=O)N(C=C1C)CC(=O)NC(C(=O)NC1CCCCCCC1)CO
InChI:   InChI=1/C18H28N4O5/c1-12-9-22(18(27)21-16(12)25)10-15(24)20-14(11-23)17(26)19-13-7-5-3-2-4-6-8-13/h9,13-14,23H,2-8,10-11H2,1H3,(H,19,26)(H,20,24)(H,21,25,27)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=93.8184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.445 g/mol  logS: -2.96819  SlogP: 0.1482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496505  Sterimol/B1: 3.61506  Sterimol/B2: 3.7598  Sterimol/B3: 3.97107
  Sterimol/B4: 5.86169  Sterimol/L: 18.5828 
 
 Surface and Volume Properties
  Accessible surface: 652.351  Positive charged surface: 455.974  Negative charged surface: 196.377  Volume: 352.625
  Hydrophobic surface: 426.523  Hydrophilic surface: 225.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.