MMsINC Database Search


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MMsINC code: MMs02136333

Type: Neutral
Formula: C₁₄H₁₂F₃NO₂S₂

SMILES:

S(=O)(=O)(CCSc1ncc(cc1)C(F)(F)F)c1ccccc1

InChI:

InChI=1/C14H12F3NO2S2/c15-14(16,17)11-6-7-13(18-10-11)21-8-9-22(19,20)12-4-2-1-3-5-12/h1-7,10H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8868 kcal/mol

Physical Properties
Molecular Weight: 347.381 g/mol	logS: -4.45098	SlogP: 3.9779	Reactive groups: 0

Topological Properties
Globularity: 0.0438556	Sterimol/B1: 3.61715	Sterimol/B2: 3.61878	Sterimol/B3: 3.88841
Sterimol/B4: 4.02216	Sterimol/L: 18.2108

Surface and Volume Properties
Accessible surface: 554.105	Positive charged surface: 236.524	Negative charged surface: 317.581	Volume: 278
Hydrophobic surface: 347.794	Hydrophilic surface: 206.311

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.