MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00135097

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(c1ccccc1C(=O)Nc1cccnc1)c1ccccc1

InChI:

InChI=1/C18H14N2O2/c21-18(20-14-7-6-12-19-13-14)16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-13H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.503 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -3.87944	SlogP: 4.1262	Reactive groups: 0

Topological Properties
Globularity: 0.051953	Sterimol/B1: 2.83175	Sterimol/B2: 3.49638	Sterimol/B3: 3.66312
Sterimol/B4: 7.91001	Sterimol/L: 15.926

Surface and Volume Properties
Accessible surface: 539.664	Positive charged surface: 331.387	Negative charged surface: 208.277	Volume: 281.625
Hydrophobic surface: 490.66	Hydrophilic surface: 49.004

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.