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ASINEX-ZINC00268052

 MMsINC code: MMs00103711
Type: Neutral
Formula: C18H15N3O3
SMILES:   Oc1c2N(C)C(=O)N(C)C(=O)c2[nH]c1-c1c2c(ccc1)cccc2
InChI:   InChI=1/C18H15N3O3/c1-20-15-14(17(23)21(2)18(20)24)19-13(16(15)22)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,19,22H,1-2H3

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Potential Energy
Epot(MMFF94)=43.3761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.336 g/mol  logS: -4.23317  SlogP: 3.1823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970889  Sterimol/B1: 2.21772  Sterimol/B2: 2.53278  Sterimol/B3: 5.05175
  Sterimol/B4: 6.82354  Sterimol/L: 15.3367 
 
 Surface and Volume Properties
  Accessible surface: 526.248  Positive charged surface: 336.204  Negative charged surface: 180.815  Volume: 293.375
  Hydrophobic surface: 395.891  Hydrophilic surface: 130.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.