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PUBCHEM-ZINC04789103

 MMsINC code: MMs03171527
Type: Neutral
Formula: C15H22N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O
InChI:   InChI=1/C15H22N4O5/c1-2-3-8-18-12(21)13(22)19(15(18)24)9-11(20)17-14(23)16-10-6-4-5-7-10/h10H,2-9H2,1H3,(H2,16,17,20,23)

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Potential Energy
Epot(MMFF94)=-7.47384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.364 g/mol  logS: -2.71703  SlogP: 0.3457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332795  Sterimol/B1: 2.63665  Sterimol/B2: 2.94096  Sterimol/B3: 4.15223
  Sterimol/B4: 6.45592  Sterimol/L: 20.0083 
 
 Surface and Volume Properties
  Accessible surface: 610.974  Positive charged surface: 413.053  Negative charged surface: 197.921  Volume: 308.875
  Hydrophobic surface: 375.789  Hydrophilic surface: 235.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.