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MMsINC code: MMs03016979

Type: Neutral
Formula: C₁₄H₁₁F₃N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(=O)NCc1c(F)cc(F)cc1F

InChI:

InChI=1/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.79717 kcal/mol

Physical Properties
Molecular Weight: 344.313 g/mol	logS: -4.41046	SlogP: 1.9477	Reactive groups: 0

Topological Properties
Globularity: 0.0653793	Sterimol/B1: 2.80055	Sterimol/B2: 3.72626	Sterimol/B3: 3.93247
Sterimol/B4: 5.71642	Sterimol/L: 16.0222

Surface and Volume Properties
Accessible surface: 535.581	Positive charged surface: 236.423	Negative charged surface: 299.158	Volume: 265.875
Hydrophobic surface: 359.646	Hydrophilic surface: 175.935

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03016980
PUBCHEM-ZINC03581206