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MMsINC code: MMs02827382

Type: Ionized
Formula: C₁₅H₁₃N₂O₄-

SMILES:

O(Cc1ccccc1)c1ncccc1C(=O)NCC(=O)[O-]

InChI:

InChI=1/C15H14N2O4/c18-13(19)9-17-14(20)12-7-4-8-16-15(12)21-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6404 kcal/mol

Physical Properties
Molecular Weight: 285.279 g/mol	logS: -2.6587	SlogP: 0.4067	Reactive groups: 0

Topological Properties
Globularity: 0.0742366	Sterimol/B1: 3.36985	Sterimol/B2: 3.43744	Sterimol/B3: 4.41029
Sterimol/B4: 7.66232	Sterimol/L: 14.1446

Surface and Volume Properties
Accessible surface: 530.659	Positive charged surface: 312.174	Negative charged surface: 218.486	Volume: 264.25
Hydrophobic surface: 379.183	Hydrophilic surface: 151.476

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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:

Parent related molecule:

MMs02827381
PUBCHEM-ZINC01854101