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IBS-ZINC00487522

 MMsINC code: MMs01737123
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)=19.6715 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: 0.129371  Sterimol/B1: 2.42792  Sterimol/B2: 3.81542  Sterimol/B3: 4.16851
  Sterimol/B4: 6.31967  Sterimol/L: 13.5927 
 
 Surface and Volume Properties
  Accessible surface: 463.995  Positive charged surface: 332.837  Negative charged surface: 131.159  Volume: 244.25
  Hydrophobic surface: 278.736  Hydrophilic surface: 185.259
 
 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.