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IFLAB-ZINC03865359

 MMsINC code: MMs02005672
Type: Neutral
Formula: C15H14N2O4
SMILES:   Oc1c(O)c(O)ccc1/C(=N/NC(=O)c1ccccc1)/C
InChI:   InChI=1/C15H14N2O4/c1-9(11-7-8-12(18)14(20)13(11)19)16-17-15(21)10-5-3-2-4-6-10/h2-8,18-20H,1H3,(H,17,21)/b16-9-

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Potential Energy
Epot(MMFF94)=111.247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -2.75846  SlogP: 1.9574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0830448  Sterimol/B1: 2.34442  Sterimol/B2: 3.02231  Sterimol/B3: 4.31793
  Sterimol/B4: 8.25594  Sterimol/L: 14.0823 
 
 Surface and Volume Properties
  Accessible surface: 517.294  Positive charged surface: 300.929  Negative charged surface: 216.365  Volume: 263.875
  Hydrophobic surface: 326.693  Hydrophilic surface: 190.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.