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NCID-ZINC01703371

 MMsINC code: MMs02332426
Type: Neutral
Formula: C17H13NO2
SMILES:   Oc1ccc2c(cccc2)c1\C=N\c1ccccc1O
InChI:   InChI=1/C17H13NO2/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20/h1-11,19-20H/b18-11+

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Potential Energy
Epot(MMFF94)=89.8473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.296 g/mol  logS: -4.4636  SlogP: 4.0016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399713  Sterimol/B1: 2.99995  Sterimol/B2: 3.1477  Sterimol/B3: 3.3749
  Sterimol/B4: 6.82949  Sterimol/L: 14.7197 
 
 Surface and Volume Properties
  Accessible surface: 491.471  Positive charged surface: 279.503  Negative charged surface: 201.587  Volume: 257.375
  Hydrophobic surface: 400.874  Hydrophilic surface: 90.597
 
 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.