MMsINC Database Search


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MMsINC code: MMs03905102

Type: Neutral
Formula: C₁₅H₁₄F₃NO₃S

SMILES:

S(=O)(=O)(NC(C)c1cc(OC)ccc1)c1ccc(F)c(F)c1F

InChI:

InChI=1/C15H14F3NO3S/c1-9(10-4-3-5-11(8-10)22-2)19-23(20,21)13-7-6-12(16)14(17)15(13)18/h3-9,19H,1-2H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1882 kcal/mol

Physical Properties
Molecular Weight: 345.341 g/mol	logS: -4.25329	SlogP: 3.2475	Reactive groups: 0

Topological Properties
Globularity: 0.0782884	Sterimol/B1: 2.13614	Sterimol/B2: 4.17632	Sterimol/B3: 4.25372
Sterimol/B4: 5.7497	Sterimol/L: 15.9538

Surface and Volume Properties
Accessible surface: 530.577	Positive charged surface: 266.033	Negative charged surface: 264.544	Volume: 281.125
Hydrophobic surface: 432.041	Hydrophilic surface: 98.536

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.