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IBS-ZINC03999869

 MMsINC code: MMs01873783
Type: Neutral
Formula: C14H15N3O5
SMILES:   O1Cc2c(C1C1C(=O)N(C)C(=O)N(C)C1=O)c(O)c(nc2)C
InChI:   InChI=1/C14H15N3O5/c1-6-10(18)8-7(4-15-6)5-22-11(8)9-12(19)16(2)14(21)17(3)13(9)20/h4,9,11,18H,5H2,1-3H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=27.507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.29 g/mol  logS: -0.79853  SlogP: 0.69542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220517  Sterimol/B1: 2.78799  Sterimol/B2: 3.40357  Sterimol/B3: 5.19472
  Sterimol/B4: 5.8976  Sterimol/L: 13.5015 
 
 Surface and Volume Properties
  Accessible surface: 490.707  Positive charged surface: 376.08  Negative charged surface: 114.627  Volume: 264.375
  Hydrophobic surface: 352.368  Hydrophilic surface: 138.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.