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NCID-ZINC05811124

 MMsINC code: MMs02500588
Type: Neutral
Formula: C20H37N7O7
SMILES:   OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CC(C)C)C)C)C(=O)NC(C(=O
)N)C
InChI:   InChI=1/C20H37N7O7/c1-9(2)6-13(26-15(29)7-21)19(33)25-11(4)17(31)24-12(5)18(32)27-14(8-28)20(34)23-10(3)16(22)30/h9-14,28H,6-8,21H2,1-5H3,(H2,22,30)(H,23,34)(H,24,31)(H,25,33)(H,26,29)(H,27,32)/t10-,11+,12-,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=131.604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 487.558 g/mol  logS: -2.76182  SlogP: -4.0475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343785  Sterimol/B1: 2.18898  Sterimol/B2: 3.79238  Sterimol/B3: 5.03993
  Sterimol/B4: 7.68595  Sterimol/L: 25.0976 
 
 Surface and Volume Properties
  Accessible surface: 845.931  Positive charged surface: 599.186  Negative charged surface: 246.745  Volume: 454.625
  Hydrophobic surface: 385.961  Hydrophilic surface: 459.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02500589
NCID-ZINC05811124