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PUBCHEM-ZINC05725542

 MMsINC code: MMs03360287
Type: Neutral
Formula: C24H37N3O4
SMILES:   O=C1C(C(=O)NC2CCCCC2)C(N(C1=O)C1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H37N3O4/c28-21-19(22(29)25-16-10-4-1-5-11-16)20(23(30)26-17-12-6-2-7-13-17)27(24(21)31)18-14-8-3-9-15-18/h16-20H,1-15H2,(H,25,29)(H,26,30)/t19-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=41.8843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.577 g/mol  logS: -4.65235  SlogP: 2.613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964929  Sterimol/B1: 3.38813  Sterimol/B2: 4.8882  Sterimol/B3: 6.15683
  Sterimol/B4: 8.74965  Sterimol/L: 17.0029 
 
 Surface and Volume Properties
  Accessible surface: 723.319  Positive charged surface: 545.158  Negative charged surface: 178.16  Volume: 429.375
  Hydrophobic surface: 614.724  Hydrophilic surface: 108.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.