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PUBCHEM-ZINC04308819

 MMsINC code: MMs03113020
Type: Neutral
Formula: C13H20N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C13H20N4O4/c1-8-5-3-4-6-13(8)10(19)17(12(21)16-13)7-9(18)15-11(20)14-2/h8H,3-7H2,1-2H3,(H,16,21)(H2,14,15,18,20)/t8-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=8.5221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.327 g/mol  logS: -2.1085  SlogP: -0.0573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0845337  Sterimol/B1: 2.15637  Sterimol/B2: 2.83617  Sterimol/B3: 4.38925
  Sterimol/B4: 6.74812  Sterimol/L: 15.4639 
 
 Surface and Volume Properties
  Accessible surface: 509.891  Positive charged surface: 377.987  Negative charged surface: 131.903  Volume: 269.125
  Hydrophobic surface: 311.074  Hydrophilic surface: 198.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.