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ASINEX-ZINC00465852

 MMsINC code: MMs00135968
Type: Neutral
Formula: C20H13NO4
SMILES:   Oc1ccccc1N1C(=O)c2c3c(cccc3c(cc2)C(=O)C)C1=O
InChI:   InChI=1/C20H13NO4/c1-11(22)12-9-10-15-18-13(12)5-4-6-14(18)19(24)21(20(15)25)16-7-2-3-8-17(16)23/h2-10,23H,1H3

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Potential Energy
Epot(MMFF94)=122.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.327 g/mol  logS: -5.58679  SlogP: 3.5486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616062  Sterimol/B1: 2.96228  Sterimol/B2: 3.88616  Sterimol/B3: 3.91664
  Sterimol/B4: 7.011  Sterimol/L: 16.6515 
 
 Surface and Volume Properties
  Accessible surface: 536.857  Positive charged surface: 277.28  Negative charged surface: 248.331  Volume: 298.125
  Hydrophobic surface: 410.635  Hydrophilic surface: 126.222
 
 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.