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ASINEX-ZINC03012430

 MMsINC code: MMs00283392
Type: Neutral
Formula: C16H13NO3
SMILES:   O1CCOC1c1cc2c(noc2-c2ccccc2)cc1
InChI:   InChI=1/C16H13NO3/c1-2-4-11(5-3-1)15-13-10-12(16-18-8-9-19-16)6-7-14(13)17-20-15/h1-7,10,16H,8-9H2

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Potential Energy
Epot(MMFF94)=96.2874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.284 g/mol  logS: -4.5615  SlogP: 3.6357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391544  Sterimol/B1: 2.63241  Sterimol/B2: 2.93623  Sterimol/B3: 3.00124
  Sterimol/B4: 7.2288  Sterimol/L: 14.548 
 
 Surface and Volume Properties
  Accessible surface: 488.524  Positive charged surface: 293.786  Negative charged surface: 190.561  Volume: 249.875
  Hydrophobic surface: 429.947  Hydrophilic surface: 58.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.