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CHEMDIV-ZINC00061037

 MMsINC code: MMs00830252
Type: Neutral
Formula: C19H11NO4
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(O)=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H11NO4/c21-17-14-9-8-12(19(23)24)10-15(14)18(22)20(17)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,23,24)

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Potential Energy
Epot(MMFF94)=94.5579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.3 g/mol  logS: -5.60587  SlogP: 3.3386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806408  Sterimol/B1: 2.74798  Sterimol/B2: 3.84845  Sterimol/B3: 4.31936
  Sterimol/B4: 7.2078  Sterimol/L: 16.2279 
 
 Surface and Volume Properties
  Accessible surface: 526.938  Positive charged surface: 250.595  Negative charged surface: 267.536  Volume: 283.375
  Hydrophobic surface: 363.728  Hydrophilic surface: 163.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00830253
CHEMDIV-ZINC00061037