MMsINC Database Search


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

MMsINC code: MMs00570480

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(CCOc1ccccc1)c1ccc(cc1)CN1C=CC(=O)NC1=O

InChI:

InChI=1/C19H18N2O4/c22-18-10-11-21(19(23)20-18)14-15-6-8-17(9-7-15)25-13-12-24-16-4-2-1-3-5-16/h1-11H,12-14H2,(H,20,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3609 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.97006	SlogP: 2.9763	Reactive groups: 0

Topological Properties
Globularity: 0.0488704	Sterimol/B1: 3.25974	Sterimol/B2: 3.74026	Sterimol/B3: 4.25664
Sterimol/B4: 4.30217	Sterimol/L: 19.6733

Surface and Volume Properties
Accessible surface: 613.266	Positive charged surface: 363.581	Negative charged surface: 249.685	Volume: 319.125
Hydrophobic surface: 477.285	Hydrophilic surface: 135.981

Pharmacophoric Properties
Hydrogen bond donors: 1	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.