MMsINC Database Search


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MMsINC code: MMs00521010

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(c1ccccc1C(=O)Nc1ccc(OC)nc1)c1ccccc1

InChI:

InChI=1/C19H16N2O3/c1-23-18-12-11-14(13-20-18)21-19(22)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.536 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -4.24108	SlogP: 4.1348	Reactive groups: 0

Topological Properties
Globularity: 0.0364278	Sterimol/B1: 3.32903	Sterimol/B2: 3.39777	Sterimol/B3: 3.69184
Sterimol/B4: 7.24991	Sterimol/L: 18.1427

Surface and Volume Properties
Accessible surface: 581.606	Positive charged surface: 383.531	Negative charged surface: 198.074	Volume: 306
Hydrophobic surface: 523.502	Hydrophilic surface: 58.104

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.