MMsINC Database Search


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MMsINC code: MMs03358792

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1ccccc1\C=N\NC(=O)c1ccc2c(cccc2)c1O

InChI:

InChI=1/C19H16N2O3/c1-24-17-9-5-3-7-14(17)12-20-21-19(23)16-11-10-13-6-2-4-8-15(13)18(16)22/h2-12,22H,1H3,(H,21,23)/b20-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.704 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.10446	SlogP: 3.3179	Reactive groups: 0

Topological Properties
Globularity: 0.00255149	Sterimol/B1: 2.1638	Sterimol/B2: 2.3705	Sterimol/B3: 2.37829
Sterimol/B4: 7.1987	Sterimol/L: 18.8123

Surface and Volume Properties
Accessible surface: 579.446	Positive charged surface: 362.424	Negative charged surface: 206.204	Volume: 304.625
Hydrophobic surface: 481.943	Hydrophilic surface: 97.503

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.