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CHEMBLOCK-ZINC04342555

 MMsINC code: MMs00547457
Type: Neutral
Formula: C20H15NO2
SMILES:   Oc1ccccc1\N=C(\C(=O)c1ccccc1)/c1ccccc1
InChI:   InChI=1/C20H15NO2/c22-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)20(23)16-11-5-2-6-12-16/h1-14,22H/b21-19-

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Potential Energy
Epot(MMFF94)=99.7686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.345 g/mol  logS: -5.34572  SlogP: 4.3959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233197  Sterimol/B1: 3.73415  Sterimol/B2: 4.04494  Sterimol/B3: 4.27568
  Sterimol/B4: 6.42398  Sterimol/L: 14.0411 
 
 Surface and Volume Properties
  Accessible surface: 537.829  Positive charged surface: 294.145  Negative charged surface: 243.684  Volume: 300.25
  Hydrophobic surface: 474.804  Hydrophilic surface: 63.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00547458
CHEMBLOCK-ZINC04342555