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MMsINC code: MMs02812973

Type: Neutral
Formula: C₁₄H₁₄N₂O₅

SMILES:

OC(=O)C(NC(=O)CC(O)=O)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6528 kcal/mol

Physical Properties
Molecular Weight: 290.275 g/mol	logS: -1.75598	SlogP: 0.75447	Reactive groups: 0

Topological Properties
Globularity: 0.187504	Sterimol/B1: 2.33854	Sterimol/B2: 4.54663	Sterimol/B3: 5.84085
Sterimol/B4: 6.06224	Sterimol/L: 13.5009

Surface and Volume Properties
Accessible surface: 508.916	Positive charged surface: 294.532	Negative charged surface: 210.49	Volume: 256.25
Hydrophobic surface: 256.774	Hydrophilic surface: 252.142

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 5	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

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Ions/Tautomers related molecules

MMs02812974
PUBCHEM-ZINC01529648