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NCID-ZINC01587766

 MMsINC code: MMs02243475
Type: Neutral
Formula: C23H18N2O3
SMILES:   Oc1c2ncccc2ccc1C(Nc1ccc(cc1)C(O)=O)c1ccccc1
InChI:   InChI=1/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.408 g/mol  logS: -4.91313  SlogP: 4.9356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149434  Sterimol/B1: 2.52815  Sterimol/B2: 3.51868  Sterimol/B3: 4.97332
  Sterimol/B4: 8.16278  Sterimol/L: 17.8487 
 
 Surface and Volume Properties
  Accessible surface: 621.854  Positive charged surface: 361.871  Negative charged surface: 254.888  Volume: 353.125
  Hydrophobic surface: 469.912  Hydrophilic surface: 151.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02243476
NCID-ZINC01587766