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ENAMINE-ZINC03505428

 MMsINC code: MMs01479413
Type: Neutral
Formula: C13H20N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC)C(=O)NC12CCCCC2
InChI:   InChI=1/C13H20N4O4/c1-2-14-11(20)15-9(18)8-17-10(19)13(16-12(17)21)6-4-3-5-7-13/h2-8H2,1H3,(H,16,21)(H2,14,15,18,20)

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Potential Energy
Epot(MMFF94)=-3.36622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.327 g/mol  logS: -2.23394  SlogP: 0.0868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423958  Sterimol/B1: 3.62768  Sterimol/B2: 3.86176  Sterimol/B3: 4.251
  Sterimol/B4: 4.34306  Sterimol/L: 17.6426 
 
 Surface and Volume Properties
  Accessible surface: 531.527  Positive charged surface: 374.928  Negative charged surface: 156.599  Volume: 271.25
  Hydrophobic surface: 322.929  Hydrophilic surface: 208.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.