MMsINC Database Search


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MMsINC code: MMs03892351

Type: Neutral
Formula: C₁₂H₁₂F₃NOS

SMILES:

S1CC(=O)N(CC)C1c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C12H12F3NOS/c1-2-16-10(17)7-18-11(16)8-3-5-9(6-4-8)12(13,14)15/h3-6,11H,2,7H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9223 kcal/mol

Physical Properties
Molecular Weight: 275.294 g/mol	logS: -3.83023	SlogP: 3.7063	Reactive groups: 0

Topological Properties
Globularity: 0.168864	Sterimol/B1: 2.5379	Sterimol/B2: 3.22576	Sterimol/B3: 4.29726
Sterimol/B4: 6.98863	Sterimol/L: 12.2818

Surface and Volume Properties
Accessible surface: 448.832	Positive charged surface: 206.465	Negative charged surface: 242.367	Volume: 227.625
Hydrophobic surface: 248.345	Hydrophilic surface: 200.487

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.