MMsINC Database Search


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

MMsINC code: MMs00590673

Type: Neutral
Formula: C₂₀H₁₄N₂O₃

SMILES:

o1c2c(nc1-c1ccccc1)cc(NC(=O)\C=C\c1occc1)cc2

InChI:

InChI=1/C20H14N2O3/c23-19(11-9-16-7-4-12-24-16)21-15-8-10-18-17(13-15)22-20(25-18)14-5-2-1-3-6-14/h1-13H,(H,21,23)/b11-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4801 kcal/mol

Physical Properties
Molecular Weight: 330.343 g/mol	logS: -6.92793	SlogP: 4.7397	Reactive groups: 0

Topological Properties
Globularity: 0.00828452	Sterimol/B1: 2.4336	Sterimol/B2: 3.16688	Sterimol/B3: 3.56304
Sterimol/B4: 5.14639	Sterimol/L: 21.8952

Surface and Volume Properties
Accessible surface: 609.31	Positive charged surface: 316.639	Negative charged surface: 292.67	Volume: 311
Hydrophobic surface: 517.082	Hydrophilic surface: 92.228

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.