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ASINEX-ZINC00353927

 MMsINC code: MMs00123145
Type: Neutral
Formula: C18H13NO2
SMILES:   O=C1NC(=O)C2C1C1c3c(C2c2c1cccc2)cccc3
InChI:   InChI=1/C18H13NO2/c20-17-15-13-9-5-1-2-6-10(9)14(16(15)18(21)19-17)12-8-4-3-7-11(12)13/h1-8,13-16H,(H,19,20,21)/t13-,14+,15-,16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.307 g/mol  logS: -3.46488  SlogP: 2.1662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.403865  Sterimol/B1: 3.31067  Sterimol/B2: 3.89862  Sterimol/B3: 4.64622
  Sterimol/B4: 4.68374  Sterimol/L: 10.8652 
 
 Surface and Volume Properties
  Accessible surface: 457.197  Positive charged surface: 256.63  Negative charged surface: 200.567  Volume: 252.75
  Hydrophobic surface: 348.912  Hydrophilic surface: 108.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.