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ASINEX-ZINC05003705

 MMsINC code: MMs00433200
Type: Neutral
Formula: C15H10N2O3
SMILES:   OC=1c2c(N(C(=O)C=1N=O)c1ccccc1)cccc2
InChI:   InChI=1/C15H10N2O3/c18-14-11-8-4-5-9-12(11)17(15(19)13(14)16-20)10-6-2-1-3-7-10/h1-9,18H

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Potential Energy
Epot(MMFF94)=109.945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.256 g/mol  logS: -4.10011  SlogP: 3.3579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107392  Sterimol/B1: 3.61592  Sterimol/B2: 3.62905  Sterimol/B3: 5.28264
  Sterimol/B4: 6.10232  Sterimol/L: 12.5774 
 
 Surface and Volume Properties
  Accessible surface: 452.031  Positive charged surface: 230.136  Negative charged surface: 221.895  Volume: 236.875
  Hydrophobic surface: 376.636  Hydrophilic surface: 75.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.