MMsINC Database Search


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MMsINC code: MMs00707494

Type: Ionized
Formula: C₁₅H₆F₅O₂-

SMILES:

Fc1c(/C(=C/c2ccccc2)/C(=O)[O-])c(F)c(F)c(F)c1F

InChI:

InChI=1/C15H7F5O2/c16-10-9(11(17)13(19)14(20)12(10)18)8(15(21)22)6-7-4-2-1-3-5-7/h1-6H,(H,21,22)/p-1/b8-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5642 kcal/mol

Physical Properties
Molecular Weight: 313.201 g/mol	logS: -5.37294	SlogP: 2.6726	Reactive groups: 0

Topological Properties
Globularity: 0.111747	Sterimol/B1: 2.99216	Sterimol/B2: 3.48126	Sterimol/B3: 3.59563
Sterimol/B4: 4.49458	Sterimol/L: 14.7358

Surface and Volume Properties
Accessible surface: 471.887	Positive charged surface: 176.825	Negative charged surface: 295.062	Volume: 239.375
Hydrophobic surface: 404.682	Hydrophilic surface: 67.205

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs00707493
CHEMBRIDGE-ZINC02333976