MMsINC Database Search


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MMsINC code: MMs00847800

Type: Neutral
Formula: C₁₄H₁₄FNOS₂

SMILES:

s1cccc1CNC(=O)CSCc1ccc(F)cc1

InChI:

InChI=1/C14H14FNOS2/c15-12-5-3-11(4-6-12)9-18-10-14(17)16-8-13-2-1-7-19-13/h1-7H,8-10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0424 kcal/mol

Physical Properties
Molecular Weight: 295.402 g/mol	logS: -4.39244	SlogP: 3.9696	Reactive groups: 0

Topological Properties
Globularity: 0.0341214	Sterimol/B1: 2.66675	Sterimol/B2: 3.11165	Sterimol/B3: 3.97853
Sterimol/B4: 4.425	Sterimol/L: 18.8946

Surface and Volume Properties
Accessible surface: 548.512	Positive charged surface: 285.946	Negative charged surface: 262.566	Volume: 265.375
Hydrophobic surface: 459.329	Hydrophilic surface: 89.183

Pharmacophoric Properties
Hydrogen bond donors: 1	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.