MMsINC Database Search


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MMsINC code: MMs02172375

Type: Neutral
Formula: C₁₅H₁₂FNO₂S₂

SMILES:

s1cc(c2c1cccc2)CNS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C15H12FNO2S2/c16-12-5-7-13(8-6-12)21(18,19)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,17H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.92 kcal/mol

Physical Properties
Molecular Weight: 321.396 g/mol	logS: -4.78617	SlogP: 3.7853	Reactive groups: 0

Topological Properties
Globularity: 0.106115	Sterimol/B1: 2.4979	Sterimol/B2: 3.93395	Sterimol/B3: 4.53423
Sterimol/B4: 7.16171	Sterimol/L: 13.9969

Surface and Volume Properties
Accessible surface: 512.23	Positive charged surface: 214.277	Negative charged surface: 293.833	Volume: 273.25
Hydrophobic surface: 429.903	Hydrophilic surface: 82.327

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.