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MMsINC code: MMs03016981

Type: Neutral
Formula: C₁₄H₁₁F₃N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F

InChI:

InChI=1/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)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)=24.2174 kcal/mol

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

Topological Properties
Globularity: 0.0644611	Sterimol/B1: 2.83709	Sterimol/B2: 3.56327	Sterimol/B3: 3.86676
Sterimol/B4: 5.86674	Sterimol/L: 16.0316

Surface and Volume Properties
Accessible surface: 536.836	Positive charged surface: 239.598	Negative charged surface: 297.238	Volume: 266.875
Hydrophobic surface: 360.577	Hydrophilic surface: 176.259

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

MMs03016982
PUBCHEM-ZINC03581208