MMsINC Database Search


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

MMsINC code: MMs00603191

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1ccc2c(cccc2)c1\C=N\NC(=O)c1ccc(O)cc1

InChI:

InChI=1/C19H16N2O3/c1-24-18-11-8-13-4-2-3-5-16(13)17(18)12-20-21-19(23)14-6-9-15(22)10-7-14/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)=121.32 kcal/mol

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

Topological Properties
Globularity: 0.00291019	Sterimol/B1: 2.06713	Sterimol/B2: 2.36929	Sterimol/B3: 2.37977
Sterimol/B4: 9.3094	Sterimol/L: 17.7986

Surface and Volume Properties
Accessible surface: 579.065	Positive charged surface: 352.34	Negative charged surface: 215.627	Volume: 305.625
Hydrophobic surface: 460.904	Hydrophilic surface: 118.161

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.