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CHEMBLOCK-ZINC00076754

 MMsINC code: MMs00494117
Type: Neutral
Formula: C15H9NO3
SMILES:   Oc1ccccc1N=C1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C15H9NO3/c17-12-8-4-3-7-11(12)16-13-14(18)9-5-1-2-6-10(9)15(13)19/h1-8,17H

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Potential Energy
Epot(MMFF94)=96.4774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.241 g/mol  logS: -4.03157  SlogP: 2.5439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513611  Sterimol/B1: 2.93332  Sterimol/B2: 3.29623  Sterimol/B3: 3.84778
  Sterimol/B4: 4.63331  Sterimol/L: 13.9337 
 
 Surface and Volume Properties
  Accessible surface: 452.097  Positive charged surface: 239.348  Negative charged surface: 212.749  Volume: 228.875
  Hydrophobic surface: 316.25  Hydrophilic surface: 135.847
 
 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.