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ACROSORGANICS-ZINC03860170

 MMsINC code: MMs00015291
Type: Neutral
Formula: C14H9NO3
SMILES:   Oc1c2c(C(=O)c3c(cccc3)C2=O)c(N)cc1
InChI:   InChI=1/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2

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Potential Energy
Epot(MMFF94)=77.9675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.23 g/mol  logS: -3.24393  SlogP: 1.7498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00407777  Sterimol/B1: 2.10303  Sterimol/B2: 2.24269  Sterimol/B3: 3.64358
  Sterimol/B4: 5.60103  Sterimol/L: 12.356 
 
 Surface and Volume Properties
  Accessible surface: 412.018  Positive charged surface: 239.142  Negative charged surface: 172.876  Volume: 211.125
  Hydrophobic surface: 261.949  Hydrophilic surface: 150.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.