MMsINC Database Search


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MMsINC code: MMs02810597

Type: Neutral
Formula: C₁₅H₁₄F₃NO₂S

SMILES:

S(=O)(=O)(NCCc1ccccc1)c1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C15H14F3NO2S/c16-15(17,18)13-7-4-8-14(11-13)22(20,21)19-10-9-12-5-2-1-3-6-12/h1-8,11,19H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3064 kcal/mol

Physical Properties
Molecular Weight: 329.342 g/mol	logS: -4.10878	SlogP: 3.53787	Reactive groups: 0

Topological Properties
Globularity: 0.129757	Sterimol/B1: 3.44396	Sterimol/B2: 3.5546	Sterimol/B3: 4.28364
Sterimol/B4: 6.93437	Sterimol/L: 13.392

Surface and Volume Properties
Accessible surface: 535.179	Positive charged surface: 224.755	Negative charged surface: 310.424	Volume: 275.25
Hydrophobic surface: 350.965	Hydrophilic surface: 184.214

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.