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IBS-ZINC01267637

 MMsINC code: MMs01765183
Type: Neutral
Formula: C13H24N4O5
SMILES:   O=C1N(C)C(NC(OC(C)C)=O)C(NC(OC(C)C)=O)N1C
InChI:   InChI=1/C13H24N4O5/c1-7(2)21-11(18)14-9-10(15-12(19)22-8(3)4)17(6)13(20)16(9)5/h7-10H,1-6H3,(H,14,18)(H,15,19)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=-31.073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.358 g/mol  logS: -1.11027  SlogP: 0.905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740425  Sterimol/B1: 3.2923  Sterimol/B2: 4.03435  Sterimol/B3: 4.05374
  Sterimol/B4: 7.42197  Sterimol/L: 15.585 
 
 Surface and Volume Properties
  Accessible surface: 597.287  Positive charged surface: 441.966  Negative charged surface: 155.321  Volume: 303.5
  Hydrophobic surface: 376.614  Hydrophilic surface: 220.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.