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IBS-ZINC04285065

 MMsINC code: MMs01882875
Type: Neutral
Formula: C11H13N3O7
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNC(CC(O)=O)C(O)=O
InChI:   InChI=1/C11H13N3O7/c1-13-8(17)5(9(18)14(2)11(13)21)4-12-6(10(19)20)3-7(15)16/h4,6,12H,3H2,1-2H3,(H,15,16)(H,19,20)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=11.0703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.239 g/mol  logS: -0.23851  SlogP: -1.5618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925228  Sterimol/B1: 2.58561  Sterimol/B2: 3.00098  Sterimol/B3: 4.25358
  Sterimol/B4: 6.26289  Sterimol/L: 12.8264 
 
 Surface and Volume Properties
  Accessible surface: 491.547  Positive charged surface: 336.082  Negative charged surface: 155.465  Volume: 244.25
  Hydrophobic surface: 220.768  Hydrophilic surface: 270.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  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


MMs01882876
IBS-ZINC04285065