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IBS-ZINC03984930

 MMsINC code: MMs01873086
Type: Neutral
Formula: C11H15N3O6
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNC(C(O)C)C(O)=O
InChI:   InChI=1/C11H15N3O6/c1-5(15)7(10(18)19)12-4-6-8(16)13(2)11(20)14(3)9(6)17/h4-5,7,12,15H,1-3H3,(H,18,19)/t5-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=37.6266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.256 g/mol  logS: -0.48542  SlogP: -1.6557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562848  Sterimol/B1: 2.36774  Sterimol/B2: 4.40743  Sterimol/B3: 4.58107
  Sterimol/B4: 4.7455  Sterimol/L: 13.8926 
 
 Surface and Volume Properties
  Accessible surface: 487.952  Positive charged surface: 343.832  Negative charged surface: 144.12  Volume: 242.375
  Hydrophobic surface: 253.09  Hydrophilic surface: 234.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs01873087
IBS-ZINC03984930