MMsINC Database Search


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MMsINC code: MMs01276680

Type: Neutral
Formula: C₁₅H₁₄FNOS₂

SMILES:

S(C)c1ccccc1NC(=O)CSc1ccc(F)cc1

InChI:

InChI=1/C15H14FNOS2/c1-19-14-5-3-2-4-13(14)17-15(18)10-20-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.246 kcal/mol

Physical Properties
Molecular Weight: 307.413 g/mol	logS: -5.71909	SlogP: 4.2784	Reactive groups: 0

Topological Properties
Globularity: 0.0121221	Sterimol/B1: 2.36351	Sterimol/B2: 2.56723	Sterimol/B3: 2.93499
Sterimol/B4: 7.60934	Sterimol/L: 16.5739

Surface and Volume Properties
Accessible surface: 536.935	Positive charged surface: 264.61	Negative charged surface: 272.325	Volume: 278.375
Hydrophobic surface: 433.498	Hydrophilic surface: 103.437

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.