MMsINC Database Search


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

MMsINC code: MMs01255984

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O1c2c(ccc(OCC(=O)Nc3ccc(cc3)C(=O)N)c2)C(=CC1=O)C

InChI:

InChI=1/C19H16N2O5/c1-11-8-18(23)26-16-9-14(6-7-15(11)16)25-10-17(22)21-13-4-2-12(3-5-13)19(20)24/h2-9H,10H2,1H3,(H2,20,24)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.568 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -5.40033	SlogP: 2.1253	Reactive groups: 0

Topological Properties
Globularity: 0.00931911	Sterimol/B1: 2.46118	Sterimol/B2: 2.65208	Sterimol/B3: 3.06797
Sterimol/B4: 6.38491	Sterimol/L: 20.1641

Surface and Volume Properties
Accessible surface: 606.674	Positive charged surface: 343.018	Negative charged surface: 263.656	Volume: 317
Hydrophobic surface: 381.123	Hydrophilic surface: 225.551

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.