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APOLLO-ZINC00154246

 MMsINC code: MMs00044368
Type: Neutral
Formula: C15H10N2O2
SMILES:   OC(=O)c1ccccc1-c1nc2ncccc2cc1
InChI:   InChI=1/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.1252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.257 g/mol  logS: -4.78948  SlogP: 2.995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0905565  Sterimol/B1: 2.43343  Sterimol/B2: 2.6602  Sterimol/B3: 4.18838
  Sterimol/B4: 6.63064  Sterimol/L: 14.174 
 
 Surface and Volume Properties
  Accessible surface: 452.573  Positive charged surface: 264.492  Negative charged surface: 181.949  Volume: 232.75
  Hydrophobic surface: 340.201  Hydrophilic surface: 112.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00044369
APOLLO-ZINC00154246