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IBS-ZINC05428308

 MMsINC code: MMs01946799
Type: Neutral
Formula: C16H13NO3
SMILES:   o1nc(C)c(c1-c1ccc(O)cc1O)-c1ccccc1
InChI:   InChI=1/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(20-17-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3

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Potential Energy
Epot(MMFF94)=97.1838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.284 g/mol  logS: -4.44228  SlogP: 3.72822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088609  Sterimol/B1: 2.79995  Sterimol/B2: 3.4203  Sterimol/B3: 3.42665
  Sterimol/B4: 7.83097  Sterimol/L: 11.9589 
 
 Surface and Volume Properties
  Accessible surface: 479.486  Positive charged surface: 277.887  Negative charged surface: 201.599  Volume: 252.5
  Hydrophobic surface: 359.288  Hydrophilic surface: 120.198
 
 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.