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PUBCHEM-ZINC03782251

 MMsINC code: MMs03075949
Type: Neutral
Formula: C21H34FN5O5
SMILES:   FC1=CN(C(=O)NCCCCCCNC(=O)CNC(=O)C(CCC)CCC)C(=O)NC1=O
InChI:   InChI=1/C21H34FN5O5/c1-3-9-15(10-4-2)18(29)25-13-17(28)23-11-7-5-6-8-12-24-20(31)27-14-16(22)19(30)26-21(27)32/h14-15H,3-13H2,1-2H3,(H,23,28)(H,24,31)(H,25,29)(H,26,30,32)

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Potential Energy
Epot(MMFF94)=33.5949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.531 g/mol  logS: -4.54883  SlogP: 2.1768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117988  Sterimol/B1: 2.123  Sterimol/B2: 2.56249  Sterimol/B3: 4.08593
  Sterimol/B4: 8.66119  Sterimol/L: 27.1308 
 
 Surface and Volume Properties
  Accessible surface: 832.347  Positive charged surface: 575.248  Negative charged surface: 257.099  Volume: 432.875
  Hydrophobic surface: 539.876  Hydrophilic surface: 292.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.