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NANOSIN-ZINC03897245

 MMsINC code: MMs02203318
Type: Neutral
Formula: C14H9NO3
SMILES:   Oc1ccc2c(c1N)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C14H9NO3/c15-12-10(16)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16H,15H2

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Potential Energy
Epot(MMFF94)=77.1294 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: 0.00396812  Sterimol/B1: 2.097  Sterimol/B2: 2.21986  Sterimol/B3: 4.22693
  Sterimol/B4: 4.52576  Sterimol/L: 13.0329 
 
 Surface and Volume Properties
  Accessible surface: 413.546  Positive charged surface: 237.455  Negative charged surface: 176.092  Volume: 213.625
  Hydrophobic surface: 256.885  Hydrophilic surface: 156.661
 
 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.