MMsINC Database Search


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MMsINC code: MMs02468130

Type: Neutral
Formula: C₁₆H₁₂F₆O₂S

SMILES:

S(=O)(c1ccccc1C(O)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C

InChI:

InChI=1/C16H12F6O2S/c1-10-6-8-11(9-7-10)25(24)13-5-3-2-4-12(13)14(23,15(17,18)19)16(20,21)22/h2-9,23H,1H3/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=197.261 kcal/mol

Physical Properties
Molecular Weight: 382.324 g/mol	logS: -5.90983	SlogP: 5.62522	Reactive groups: 0

Topological Properties
Globularity: 0.161755	Sterimol/B1: 3.09559	Sterimol/B2: 4.75388	Sterimol/B3: 5.04169
Sterimol/B4: 5.55942	Sterimol/L: 13.0354

Surface and Volume Properties
Accessible surface: 500.809	Positive charged surface: 210.621	Negative charged surface: 290.187	Volume: 283.625
Hydrophobic surface: 316.268	Hydrophilic surface: 184.541

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.