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ENAMINE-ZINC03522719

 MMsINC code: MMs01489846
Type: Neutral
Formula: C10H13N3O4
SMILES:   O(C(=O)c1n(ccc1)C)C(C(=O)NC(=O)N)C
InChI:   InChI=1/C10H13N3O4/c1-6(8(14)12-10(11)16)17-9(15)7-4-3-5-13(7)2/h3-6H,1-2H3,(H3,11,12,14,16)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=13.7645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.231 g/mol  logS: -1.09106  SlogP: 0.1245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593689  Sterimol/B1: 2.30932  Sterimol/B2: 2.32935  Sterimol/B3: 4.25234
  Sterimol/B4: 5.82043  Sterimol/L: 14.9415 
 
 Surface and Volume Properties
  Accessible surface: 457.836  Positive charged surface: 286.383  Negative charged surface: 171.453  Volume: 213.375
  Hydrophobic surface: 224.226  Hydrophilic surface: 233.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.