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IBS-ZINC00490663

 MMsINC code: MMs01738249
Type: Neutral
Formula: C13H13N3O5
SMILES:   O1Cc2c(C1C1C(=O)N(C)C(=O)NC1=O)c(O)c(nc2)C
InChI:   InChI=1/C13H13N3O5/c1-5-9(17)7-6(3-14-5)4-21-10(7)8-11(18)15-13(20)16(2)12(8)19/h3,8,10,17H,4H2,1-2H3,(H,15,18,20)/t8-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=48.0466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.263 g/mol  logS: -0.90452  SlogP: 0.35322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551219  Sterimol/B1: 2.60231  Sterimol/B2: 2.82419  Sterimol/B3: 3.11541
  Sterimol/B4: 6.8314  Sterimol/L: 13.745 
 
 Surface and Volume Properties
  Accessible surface: 458.938  Positive charged surface: 338.429  Negative charged surface: 120.508  Volume: 243.375
  Hydrophobic surface: 273.467  Hydrophilic surface: 185.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.