MMsINC Database Search


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

MMsINC code: MMs02610419

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(c1c(OC)cccc1OC)c1ncc(cn1)-c1ccc(OC)cc1

InChI:

InChI=1/C19H18N2O4/c1-22-15-9-7-13(8-10-15)14-11-20-19(21-12-14)25-18-16(23-2)5-4-6-17(18)24-3/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.256 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -5.24971	SlogP: 3.9617	Reactive groups: 0

Topological Properties
Globularity: 0.0712203	Sterimol/B1: 4.07313	Sterimol/B2: 4.29269	Sterimol/B3: 5.92584
Sterimol/B4: 5.93299	Sterimol/L: 17.8852

Surface and Volume Properties
Accessible surface: 609.307	Positive charged surface: 441.798	Negative charged surface: 156.438	Volume: 322.375
Hydrophobic surface: 564.265	Hydrophilic surface: 45.042

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.