MMsINC Database Search


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MMsINC code: MMs02659894

Type: Ionized
Formula: C₁₀H₆F₆NO₃-

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1cc(N)c(cc1)C(=O)[O-]

InChI:

InChI=1/C10H7F6NO3/c11-9(12,13)8(20,10(14,15)16)4-1-2-5(7(18)19)6(17)3-4/h1-3,20H,17H2,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5834 kcal/mol

Physical Properties
Molecular Weight: 302.15 g/mol	logS: -3.27261	SlogP: 2.0958	Reactive groups: 0

Topological Properties
Globularity: 0.106682	Sterimol/B1: 2.577	Sterimol/B2: 3.19711	Sterimol/B3: 3.84537
Sterimol/B4: 5.67781	Sterimol/L: 11.879

Surface and Volume Properties
Accessible surface: 406.12	Positive charged surface: 129.162	Negative charged surface: 276.958	Volume: 200.375
Hydrophobic surface: 81.2354	Hydrophilic surface: 324.8846

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

MMs02659893
PUBCHEM-ZINC00344342