MMsINC Database Search


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MMsINC code: MMs03774794

Type: Neutral
Formula: C₁₇H₁₂F₆O₂S

SMILES:

S(=O)(=O)(\C=C\c1ccc(cc1)C(F)(F)F)Cc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C17H12F6O2S/c18-16(19,20)14-6-4-12(5-7-14)8-9-26(24,25)11-13-2-1-3-15(10-13)17(21,22)23/h1-10H,11H2/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2032 kcal/mol

Physical Properties
Molecular Weight: 394.335 g/mol	logS: -5.62318	SlogP: 6.1993	Reactive groups: 0

Topological Properties
Globularity: 0.0255134	Sterimol/B1: 2.34713	Sterimol/B2: 2.49407	Sterimol/B3: 4.18276
Sterimol/B4: 6.11133	Sterimol/L: 18.5213

Surface and Volume Properties
Accessible surface: 580.756	Positive charged surface: 187.502	Negative charged surface: 393.254	Volume: 301.875
Hydrophobic surface: 321.186	Hydrophilic surface: 259.57

Pharmacophoric Properties
Hydrogen bond donors: 0	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.