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ENAMINE-ZINC06509687

 MMsINC code: MMs01666100
Type: Neutral
Formula: C13H20N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)N(C1)C
InChI:   InChI=1/C13H20N4O4/c1-16-8-11(19)17(13(16)21)7-10(18)15-12(20)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,14,15,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.85922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.327 g/mol  logS: -1.80074  SlogP: 0.0389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426437  Sterimol/B1: 2.42212  Sterimol/B2: 3.32852  Sterimol/B3: 3.68231
  Sterimol/B4: 5.81223  Sterimol/L: 17.1949 
 
 Surface and Volume Properties
  Accessible surface: 541.444  Positive charged surface: 412.015  Negative charged surface: 129.429  Volume: 273.75
  Hydrophobic surface: 360.733  Hydrophilic surface: 180.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.