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MMsINC code: MMs02347741

Type: Neutral
Formula: C₁₉H₁₆N₂O₆

SMILES:

O1CC(C(=O)N2Cc3nc4c(cc3C2=O)cccc4)C(COC(=O)C)C1=O

InChI:

InChI=1/C19H16N2O6/c1-10(22)26-9-14-13(8-27-19(14)25)18(24)21-7-16-12(17(21)23)6-11-4-2-3-5-15(11)20-16/h2-6,13-14H,7-9H2,1H3/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6615 kcal/mol

Physical Properties
Molecular Weight: 368.345 g/mol	logS: -3.16169	SlogP: 1.3359	Reactive groups: 0

Topological Properties
Globularity: 0.105979	Sterimol/B1: 2.23171	Sterimol/B2: 3.65577	Sterimol/B3: 4.21833
Sterimol/B4: 9.4026	Sterimol/L: 16.1733

Surface and Volume Properties
Accessible surface: 587.092	Positive charged surface: 347.248	Negative charged surface: 234.621	Volume: 319.5
Hydrophobic surface: 410.191	Hydrophilic surface: 176.901

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.