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NCID-ZINC01724428

 MMsINC code: MMs02348444
Type: Neutral
Formula: C20H15NO
SMILES:   Oc1ccc(cc1)\C=N\c1cc2Cc3c(-c2cc1)cccc3
InChI:   InChI=1/C20H15NO/c22-18-8-5-14(6-9-18)13-21-17-7-10-20-16(12-17)11-15-3-1-2-4-19(15)20/h1-10,12-13,22H,11H2/b21-13+

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Potential Energy
Epot(MMFF94)=81.8854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.346 g/mol  logS: -5.84493  SlogP: 4.71397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160999  Sterimol/B1: 2.69553  Sterimol/B2: 2.86004  Sterimol/B3: 3.93649
  Sterimol/B4: 4.0363  Sterimol/L: 18.9179 
 
 Surface and Volume Properties
  Accessible surface: 551.51  Positive charged surface: 317.538  Negative charged surface: 223.361  Volume: 290
  Hydrophobic surface: 483.442  Hydrophilic surface: 68.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.