MMsINC Database Search


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MMsINC code: MMs02132923

Type: Neutral
Formula: C₁₅H₈F₂OS₂

SMILES:

s1c(ccc1C(=O)c1ccc(F)cc1F)-c1sccc1

InChI:

InChI=1/C15H8F2OS2/c16-9-3-4-10(11(17)8-9)15(18)14-6-5-13(20-14)12-2-1-7-19-12/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0998 kcal/mol

Physical Properties
Molecular Weight: 306.356 g/mol	logS: -5.87205	SlogP: 4.9858	Reactive groups: 0

Topological Properties
Globularity: 0.0666844	Sterimol/B1: 2.53056	Sterimol/B2: 3.38602	Sterimol/B3: 3.99124
Sterimol/B4: 6.86698	Sterimol/L: 14.9786

Surface and Volume Properties
Accessible surface: 492.887	Positive charged surface: 188.513	Negative charged surface: 304.374	Volume: 256.5
Hydrophobic surface: 459.897	Hydrophilic surface: 32.99

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.