MMsINC Database Search


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

MMsINC code: MMs01560848

Type: Neutral
Formula: C₁₉H₁₇N₃O₅

SMILES:

o1cccc1-c1nc2c(cccc2)c(c1)C(OC(C(=O)NC(=O)NC)C)=O

InChI:

InChI=1/C19H17N3O5/c1-11(17(23)22-19(25)20-2)27-18(24)13-10-15(16-8-5-9-26-16)21-14-7-4-3-6-12(13)14/h3-11H,1-2H3,(H2,20,22,23,25)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7658 kcal/mol

Physical Properties
Molecular Weight: 367.361 g/mol	logS: -5.04609	SlogP: 2.4957	Reactive groups: 0

Topological Properties
Globularity: 0.0330345	Sterimol/B1: 2.1603	Sterimol/B2: 4.79611	Sterimol/B3: 5.22337
Sterimol/B4: 8.6782	Sterimol/L: 17.7955

Surface and Volume Properties
Accessible surface: 642.139	Positive charged surface: 387.393	Negative charged surface: 249.35	Volume: 332
Hydrophobic surface: 465.611	Hydrophilic surface: 176.528

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.