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MMsINC code: MMs03309693

Type: Neutral
Formula: C₉H₁₁F₃N₂O₄S₂

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CCNS(=O)(=O)C(F)(F)F

InChI:

InChI=1/C9H11F3N2O4S2/c10-9(11,12)20(17,18)14-6-5-7-1-3-8(4-2-7)19(13,15)16/h1-4,14H,5-6H2,(H2,13,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.3448 kcal/mol

Physical Properties
Molecular Weight: 332.323 g/mol	logS: -2.59393	SlogP: 0.73557	Reactive groups: 0

Topological Properties
Globularity: 0.0791426	Sterimol/B1: 2.3803	Sterimol/B2: 3.53045	Sterimol/B3: 3.89046
Sterimol/B4: 5.19151	Sterimol/L: 15.3646

Surface and Volume Properties
Accessible surface: 491.83	Positive charged surface: 189.637	Negative charged surface: 302.193	Volume: 236.625
Hydrophobic surface: 170.28	Hydrophilic surface: 321.55

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03309694
PUBCHEM-ZINC05569652