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MMsINC code: MMs02604748

Type: Ionized
Formula: C₁₇H₉FN₂O₄-2

SMILES:

Fc1ccc(Nc2c3cc(ccc3ncc2C(=O)[O-])C(=O)[O-])cc1

InChI:

InChI=1/C17H11FN2O4/c18-10-2-4-11(5-3-10)20-15-12-7-9(16(21)22)1-6-14(12)19-8-13(15)17(23)24/h1-8H,(H,19,20)(H,21,22)(H,23,24)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7448 kcal/mol

Physical Properties
Molecular Weight: 324.267 g/mol	logS: -4.34842	SlogP: 0.8445	Reactive groups: 0

Topological Properties
Globularity: 0.0839369	Sterimol/B1: 2.28684	Sterimol/B2: 4.30938	Sterimol/B3: 5.64395
Sterimol/B4: 7.59935	Sterimol/L: 12.7385

Surface and Volume Properties
Accessible surface: 499.106	Positive charged surface: 225.619	Negative charged surface: 271.261	Volume: 275
Hydrophobic surface: 314.187	Hydrophilic surface: 184.919

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 4	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:

MMs02604747
OTAVA-ZINC05610186