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MMsINC code: MMs03115977

Type: Ionized
Formula: C₁₇H₁₁N₂O₄-

SMILES:

O=C/1N(c2ccccc2)C(=O)N\C\1=C\c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C17H12N2O4/c20-15-14(10-11-6-8-12(9-7-11)16(21)22)18-17(23)19(15)13-4-2-1-3-5-13/h1-10H,(H,18,23)(H,21,22)/p-1/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4918 kcal/mol

Physical Properties
Molecular Weight: 307.285 g/mol	logS: -4.42747	SlogP: 1.1474	Reactive groups: 0

Topological Properties
Globularity: 0.0382049	Sterimol/B1: 3.38949	Sterimol/B2: 3.6638	Sterimol/B3: 4.03279
Sterimol/B4: 4.03502	Sterimol/L: 17.9419

Surface and Volume Properties
Accessible surface: 529.778	Positive charged surface: 260.225	Negative charged surface: 269.553	Volume: 276.875
Hydrophobic surface: 342.577	Hydrophilic surface: 187.201

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:

MMs03115975
PUBCHEM-ZINC04351204