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MMsINC code: MMs02358791

Type: Neutral
Formula: C₁₄H₁₂F₃N₃O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)Nc2cc(ccc2)C(F)(F)F)cc1

InChI:

InChI=1/C14H12F3N3O3S/c15-14(16,17)9-2-1-3-11(8-9)20-13(21)19-10-4-6-12(7-5-10)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.147 kcal/mol

Physical Properties
Molecular Weight: 359.328 g/mol	logS: -4.53521	SlogP: 3.3083	Reactive groups: 0

Topological Properties
Globularity: 0.0394046	Sterimol/B1: 2.11104	Sterimol/B2: 2.45547	Sterimol/B3: 4.73357
Sterimol/B4: 5.74203	Sterimol/L: 17.6665

Surface and Volume Properties
Accessible surface: 552.426	Positive charged surface: 242.129	Negative charged surface: 310.297	Volume: 277.125
Hydrophobic surface: 258.767	Hydrophilic surface: 293.659

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02358792
NCID-ZINC01738356