MMsINC Database Search


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MMsINC code: MMs02143464

Type: Neutral
Formula: C₁₄H₁₅F₃N₂O₂S

SMILES:

S(=O)(=O)(NCc1n(C)c(cc1)C)c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C14H15F3N2O2S/c1-10-3-6-12(19(10)2)9-18-22(20,21)13-7-4-11(5-8-13)14(15,16)17/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.7951 kcal/mol

Physical Properties
Molecular Weight: 332.346 g/mol	logS: -2.85085	SlogP: 3.76792	Reactive groups: 0

Topological Properties
Globularity: 0.0791776	Sterimol/B1: 3.68777	Sterimol/B2: 3.83721	Sterimol/B3: 4.05349
Sterimol/B4: 5.15039	Sterimol/L: 16.2569

Surface and Volume Properties
Accessible surface: 535.801	Positive charged surface: 253.023	Negative charged surface: 282.777	Volume: 276
Hydrophobic surface: 341.648	Hydrophilic surface: 194.153

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.