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CHEMSTAR-ZINC00332904

 MMsINC code: MMs01074714
Type: Neutral
Formula: C21H13NO4
SMILES:   Oc1ccccc1N1C(=O)c2c(ccc(c2)C(=O)c2ccccc2)C1=O
InChI:   InChI=1/C21H13NO4/c23-18-9-5-4-8-17(18)22-20(25)15-11-10-14(12-16(15)21(22)26)19(24)13-6-2-1-3-7-13/h1-12,23H

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Potential Energy
Epot(MMFF94)=129.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.338 g/mol  logS: -5.46945  SlogP: 3.4238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633096  Sterimol/B1: 2.46985  Sterimol/B2: 3.61814  Sterimol/B3: 4.13323
  Sterimol/B4: 7.90874  Sterimol/L: 16.9716 
 
 Surface and Volume Properties
  Accessible surface: 576.564  Positive charged surface: 286.296  Negative charged surface: 290.268  Volume: 313.625
  Hydrophobic surface: 430.173  Hydrophilic surface: 146.391
 
 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.