MMsINC Database Search


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MMsINC code: MMs03014162

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1ccc(cc1)C(=O)NCc1ccncc1)c1ccccc1

InChI:

InChI=1/C19H16N2O2/c22-19(21-14-15-10-12-20-13-11-15)16-6-8-18(9-7-16)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6143 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.82348	SlogP: 4.0703	Reactive groups: 0

Topological Properties
Globularity: 0.0649457	Sterimol/B1: 2.83996	Sterimol/B2: 3.06205	Sterimol/B3: 4.54131
Sterimol/B4: 6.14582	Sterimol/L: 17.5491

Surface and Volume Properties
Accessible surface: 573.558	Positive charged surface: 355.958	Negative charged surface: 217.6	Volume: 297.875
Hydrophobic surface: 511.076	Hydrophilic surface: 62.482

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

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Ions/Tautomers related molecules: no related molecules available.