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ENAMINE-ZINC03454234

 MMsINC code: MMs01452941
Type: Neutral
Formula: C15H22N4O5
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O
InChI:   InChI=1/C15H22N4O5/c1-9(2)7-18-12(21)13(22)19(15(18)24)8-11(20)17-14(23)16-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,16,17,20,23)

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Potential Energy
Epot(MMFF94)=-0.217772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.364 g/mol  logS: -2.40358  SlogP: 0.2016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420898  Sterimol/B1: 2.24495  Sterimol/B2: 3.04127  Sterimol/B3: 4.77164
  Sterimol/B4: 6.22831  Sterimol/L: 18.9313 
 
 Surface and Volume Properties
  Accessible surface: 597.004  Positive charged surface: 401.237  Negative charged surface: 195.767  Volume: 307.75
  Hydrophobic surface: 356.415  Hydrophilic surface: 240.589
 
 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.