MMsINC Database Search


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MMsINC code: MMs00865550

Type: Neutral
Formula: C₂₂H₁₇N₃O₃

SMILES:

O=C1N(c2ccccc2)C(=O)Nc2c1ccc(c2)C(=O)NCc1ccccc1

InChI:

InChI=1/C22H17N3O3/c26-20(23-14-15-7-3-1-4-8-15)16-11-12-18-19(13-16)24-22(28)25(21(18)27)17-9-5-2-6-10-17/h1-13H,14H2,(H,23,26)(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9894 kcal/mol

Physical Properties
Molecular Weight: 371.396 g/mol	logS: -5.5698	SlogP: 4.0753	Reactive groups: 0

Topological Properties
Globularity: 0.039708	Sterimol/B1: 2.28502	Sterimol/B2: 3.62021	Sterimol/B3: 3.62528
Sterimol/B4: 6.34431	Sterimol/L: 20.2352

Surface and Volume Properties
Accessible surface: 640.542	Positive charged surface: 352.887	Negative charged surface: 287.655	Volume: 347.375
Hydrophobic surface: 500.058	Hydrophilic surface: 140.484

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.