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PUBCHEM-ZINC04574499

 MMsINC code: MMs03136577
Type: Neutral
Formula: C22H40N4O5
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C(CC)C)C(=O)N
InChI:   InChI=1/C22H40N4O5/c1-8-14(4)17(18(23)27)25-19(28)16-10-9-11-26(16)20(29)15(12-13(2)3)24-21(30)31-22(5,6)7/h13-17H,8-12H2,1-7H3,(H2,23,27)(H,24,30)(H,25,28)/t14-,15-,16+,17-/m1/s1

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Potential Energy
Epot(MMFF94)=116.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.585 g/mol  logS: -4.69704  SlogP: 1.933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0845193  Sterimol/B1: 3.60177  Sterimol/B2: 5.27284  Sterimol/B3: 5.38823
  Sterimol/B4: 6.4536  Sterimol/L: 18.6923 
 
 Surface and Volume Properties
  Accessible surface: 755.176  Positive charged surface: 539.704  Negative charged surface: 215.471  Volume: 443.625
  Hydrophobic surface: 481.036  Hydrophilic surface: 274.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.