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NCID-ZINC05922463

 MMsINC code: MMs02511204
Type: Neutral
Formula: C23H43N5O5
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N1CCCC1CN(C(C)C)C(=O)NCC(=O)N
C
InChI:   InChI=1/C23H43N5O5/c1-15(2)12-18(26-22(32)33-23(5,6)7)20(30)27-11-9-10-17(27)14-28(16(3)4)21(31)25-13-19(29)24-8/h15-18H,9-14H2,1-8H3,(H,24,29)(H,25,31)(H,26,32)/t17-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=102.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.627 g/mol  logS: -3.73473  SlogP: 2.0828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551687  Sterimol/B1: 2.4848  Sterimol/B2: 2.53598  Sterimol/B3: 6.47465
  Sterimol/B4: 8.85083  Sterimol/L: 21.4287 
 
 Surface and Volume Properties
  Accessible surface: 797.68  Positive charged surface: 598.677  Negative charged surface: 199.003  Volume: 470.25
  Hydrophobic surface: 540.557  Hydrophilic surface: 257.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.