MMsINC Database Search


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MMsINC code: MMs01454444

Type: Neutral
Formula: C₁₆H₁₅F₂NOS

SMILES:

S(CC(=O)Nc1cc(F)ccc1F)c1cc(C)c(cc1)C

InChI:

InChI=1/C16H15F2NOS/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-8-12(17)4-6-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7423 kcal/mol

Physical Properties
Molecular Weight: 307.364 g/mol	logS: -5.94051	SlogP: 4.31244	Reactive groups: 0

Topological Properties
Globularity: 0.0124968	Sterimol/B1: 2.51489	Sterimol/B2: 2.75459	Sterimol/B3: 2.79896
Sterimol/B4: 5.26781	Sterimol/L: 17.7061

Surface and Volume Properties
Accessible surface: 545.459	Positive charged surface: 281.054	Negative charged surface: 264.405	Volume: 276.875
Hydrophobic surface: 469.722	Hydrophilic surface: 75.737

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.