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ASINEX-ZINC00240392

 MMsINC code: MMs00097016
Type: Neutral
Formula: C15H11NO3
SMILES:   Oc1cc(ccc1N1C(=O)c2c(cccc2)C1=O)C
InChI:   InChI=1/C15H11NO3/c1-9-6-7-12(13(17)8-9)16-14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=79.0556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.257 g/mol  logS: -3.87056  SlogP: 2.50122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835839  Sterimol/B1: 3.28105  Sterimol/B2: 3.61211  Sterimol/B3: 3.68714
  Sterimol/B4: 3.81733  Sterimol/L: 14.6545 
 
 Surface and Volume Properties
  Accessible surface: 465.207  Positive charged surface: 245.57  Negative charged surface: 219.637  Volume: 233.375
  Hydrophobic surface: 354.044  Hydrophilic surface: 111.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.