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ENAMINE-ZINC03454248

 MMsINC code: MMs01452951
Type: Neutral
Formula: C12H18N4O5
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NC(=O)NCC)C1=O
InChI:   InChI=1/C12H18N4O5/c1-4-13-11(20)14-8(17)6-16-10(19)9(18)15(12(16)21)5-7(2)3/h7H,4-6H2,1-3H3,(H2,13,14,17,20)

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Potential Energy
Epot(MMFF94)=-10.8305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.299 g/mol  logS: -1.77487  SlogP: -0.7211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0384016  Sterimol/B1: 3.26889  Sterimol/B2: 3.56909  Sterimol/B3: 3.58908
  Sterimol/B4: 5.25865  Sterimol/L: 18.0487 
 
 Surface and Volume Properties
  Accessible surface: 539.395  Positive charged surface: 355.077  Negative charged surface: 184.318  Volume: 265
  Hydrophobic surface: 266.329  Hydrophilic surface: 273.066
 
 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.