MMsINC Database Search


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MMsINC code: MMs01290202

Type: Ionized
Formula: C₈H₅F₂O₄S-

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C8H6F2O4S/c9-8(10)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7154 kcal/mol

Physical Properties
Molecular Weight: 235.186 g/mol	logS: -1.83929	SlogP: 0.4663	Reactive groups: 0

Topological Properties
Globularity: 0.0963126	Sterimol/B1: 2.44454	Sterimol/B2: 3.16023	Sterimol/B3: 3.18591
Sterimol/B4: 4.85295	Sterimol/L: 11.6675

Surface and Volume Properties
Accessible surface: 367.212	Positive charged surface: 115.855	Negative charged surface: 251.357	Volume: 169.25
Hydrophobic surface: 144.57	Hydrophilic surface: 222.642

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs01290201
ENAMINE-ZINC03097863