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ENAMINE-ZINC06549879

 MMsINC code: MMs01670811
Type: Neutral
Formula: C16H24N4O4
SMILES:   O=C1N(CC(=O)N2CCN(CC2)C(=O)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C16H24N4O4/c1-12(21)18-7-9-19(10-8-18)13(22)11-20-14(23)16(17-15(20)24)5-3-2-4-6-16/h2-11H2,1H3,(H,17,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.392 g/mol  logS: -1.79499  SlogP: -0.0682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447067  Sterimol/B1: 3.20863  Sterimol/B2: 3.89743  Sterimol/B3: 4.017
  Sterimol/B4: 4.69325  Sterimol/L: 18.2897 
 
 Surface and Volume Properties
  Accessible surface: 565.354  Positive charged surface: 403.796  Negative charged surface: 161.558  Volume: 313
  Hydrophobic surface: 416.662  Hydrophilic surface: 148.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.