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NCID-ZINC01593862

 MMsINC code: MMs02248261
Type: Neutral
Formula: C14H11NO3
SMILES:   OC1c2c(C(=O)c3c1cccc3)c(N)ccc2O
InChI:   InChI=1/C14H11NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,14,16,18H,15H2/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=73.4911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.246 g/mol  logS: -2.71004  SlogP: 1.696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445461  Sterimol/B1: 2.097  Sterimol/B2: 3.80101  Sterimol/B3: 4.46562
  Sterimol/B4: 4.75029  Sterimol/L: 12.2858 
 
 Surface and Volume Properties
  Accessible surface: 420.936  Positive charged surface: 247.195  Negative charged surface: 173.74  Volume: 218.25
  Hydrophobic surface: 259.119  Hydrophilic surface: 161.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.