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PUBCHEM-ZINC05935245

 MMsINC code: MMs03452693
Type: Neutral
Formula: C18H11NO
SMILES:   O=Cc1c2c(nc3c1cccc3)c1c(cc2)cccc1
InChI:   InChI=1/C18H11NO/c20-11-16-14-7-3-4-8-17(14)19-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-11H

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Potential Energy
Epot(MMFF94)=97.9352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.292 g/mol  logS: -5.70409  SlogP: 4.3537  Reactive groups: 1
 
 Topological Properties
  Globularity: 5.5329e-05  Sterimol/B1: 2.09777  Sterimol/B2: 2.10296  Sterimol/B3: 3.84959
  Sterimol/B4: 5.90746  Sterimol/L: 14.2371 
 
 Surface and Volume Properties
  Accessible surface: 460.694  Positive charged surface: 232.251  Negative charged surface: 206.3  Volume: 252.625
  Hydrophobic surface: 389.158  Hydrophilic surface: 71.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.