MMsINC Database Search


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MMsINC code: MMs02893218

Type: Neutral
Formula: C₁₆H₁₅FOS

SMILES:

S(CCC(=O)c1ccc(cc1)C)c1ccc(F)cc1

InChI:

InChI=1/C16H15FOS/c1-12-2-4-13(5-3-12)16(18)10-11-19-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.364 kcal/mol

Physical Properties
Molecular Weight: 274.359 g/mol	logS: -5.15635	SlogP: 4.49922	Reactive groups: 0

Topological Properties
Globularity: 0.00651676	Sterimol/B1: 2.37858	Sterimol/B2: 2.51224	Sterimol/B3: 3.69159
Sterimol/B4: 4.2622	Sterimol/L: 17.972

Surface and Volume Properties
Accessible surface: 524.254	Positive charged surface: 269.494	Negative charged surface: 254.759	Volume: 266.875
Hydrophobic surface: 456.921	Hydrophilic surface: 67.333

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.