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IBS-ZINC02979330

 MMsINC code: MMs01870339
Type: Neutral
Formula: C14H15N3O4
SMILES:   O(C)c1ccc(cc1)CO\N=C\C=1C(=O)NC(=O)NC=1C
InChI:   InChI=1/C14H15N3O4/c1-9-12(13(18)17-14(19)16-9)7-15-21-8-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H2,16,17,18,19)/b15-7+

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Potential Energy
Epot(MMFF94)=42.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.291 g/mol  logS: -2.80718  SlogP: 1.5774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426371  Sterimol/B1: 1.98517  Sterimol/B2: 3.62267  Sterimol/B3: 3.81422
  Sterimol/B4: 6.43032  Sterimol/L: 18.6346 
 
 Surface and Volume Properties
  Accessible surface: 541.605  Positive charged surface: 358.986  Negative charged surface: 182.619  Volume: 265.75
  Hydrophobic surface: 350.679  Hydrophilic surface: 190.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.