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NANOSIN-ZINC04738506

 MMsINC code: MMs02210707
Type: Neutral
Formula: C15H14N2O3
SMILES:   O(C)c1cc(ccc1)\C=N\Nc1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H14N2O3/c1-20-14-4-2-3-11(9-14)10-16-17-13-7-5-12(6-8-13)15(18)19/h2-10,17H,1H3,(H,18,19)/b16-10+

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Potential Energy
Epot(MMFF94)=74.4982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -3.02669  SlogP: 2.8394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00217947  Sterimol/B1: 2.3747  Sterimol/B2: 2.3754  Sterimol/B3: 4.22323
  Sterimol/B4: 4.36664  Sterimol/L: 18.532 
 
 Surface and Volume Properties
  Accessible surface: 521.139  Positive charged surface: 321.472  Negative charged surface: 199.667  Volume: 259.25
  Hydrophobic surface: 373.206  Hydrophilic surface: 147.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02210708
NANOSIN-ZINC04738506