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MMsINC code: MMs02631604

Type: Ionized
Formula: C₁₈H₁₃N₂O₅-

SMILES:

O(Cc1ccc(cc1)C(=O)[O-])c1ccc(cc1)\C=C\1/NC(=O)NC/1=O

InChI:

InChI=1/C18H14N2O5/c21-16-15(19-18(24)20-16)9-11-3-7-14(8-4-11)25-10-12-1-5-13(6-2-12)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,24)/p-1/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.273 kcal/mol

Physical Properties
Molecular Weight: 337.311 g/mol	logS: -4.52788	SlogP: 1.0758	Reactive groups: 0

Topological Properties
Globularity: 0.0307347	Sterimol/B1: 2.20891	Sterimol/B2: 3.96256	Sterimol/B3: 4.19066
Sterimol/B4: 4.48404	Sterimol/L: 19.7573

Surface and Volume Properties
Accessible surface: 583.447	Positive charged surface: 300.522	Negative charged surface: 282.925	Volume: 301.25
Hydrophobic surface: 325.228	Hydrophilic surface: 258.219

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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:

MMs02631603
PUBCHEM-ZINC00073264