MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00499457

Type: Ionized
Formula: C₁₅H₁₀FNO₄-2

SMILES:

Fc1ccc(cc1)-c1c(C(=O)[O-])c(nc(C)c1C(=O)[O-])C

InChI:

InChI=1/C15H12FNO4/c1-7-11(14(18)19)13(9-3-5-10(16)6-4-9)12(15(20)21)8(2)17-7/h3-6H,1-2H3,(H,18,19)(H,20,21)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7869 kcal/mol

Physical Properties
Molecular Weight: 287.246 g/mol	logS: -3.93458	SlogP: 0.23154	Reactive groups: 0

Topological Properties
Globularity: 0.127514	Sterimol/B1: 2.58748	Sterimol/B2: 3.18974	Sterimol/B3: 3.63766
Sterimol/B4: 7.39938	Sterimol/L: 12.6183

Surface and Volume Properties
Accessible surface: 465.985	Positive charged surface: 209.381	Negative charged surface: 255.205	Volume: 250
Hydrophobic surface: 327.505	Hydrophilic surface: 138.48

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs00499456
CHEMBLOCK-ZINC00111319