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MMsINC code: MMs01035595

Type: Ionized
Formula: C₁₉H₁₃N₂O₅-

SMILES:

O=C1N(C(C(=O)[O-])C1N1C(=O)c2c(cccc2)C1=O)c1ccccc1C

InChI:

InChI=1/C19H14N2O5/c1-10-6-2-5-9-13(10)20-15(19(25)26)14(18(20)24)21-16(22)11-7-3-4-8-12(11)17(21)23/h2-9,14-15H,1H3,(H,25,26)/p-1/t14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9593 kcal/mol

Physical Properties
Molecular Weight: 349.322 g/mol	logS: -4.39077	SlogP: 0.12492	Reactive groups: 0

Topological Properties
Globularity: 0.0836425	Sterimol/B1: 2.32559	Sterimol/B2: 3.39908	Sterimol/B3: 3.88743
Sterimol/B4: 7.23791	Sterimol/L: 16.2807

Surface and Volume Properties
Accessible surface: 544.579	Positive charged surface: 233.2	Negative charged surface: 280.183	Volume: 308.5
Hydrophobic surface: 395.615	Hydrophilic surface: 148.964

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs01035594
CHEMDIV-ZINC06808119