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MMsINC code: MMs00059204

Type: Neutral
Formula: C₈H₁₁F₃N₂O₄S

SMILES:

SCC(NC(=O)C(F)(F)F)C(=O)NCC(OC)=O

InChI:

InChI=1/C8H11F3N2O4S/c1-17-5(14)2-12-6(15)4(3-18)13-7(16)8(9,10)11/h4,18H,2-3H2,1H3,(H,12,15)(H,13,16)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4544 kcal/mol

Physical Properties
Molecular Weight: 288.246 g/mol	logS: -2.4153	SlogP: -0.3276	Reactive groups: 1

Topological Properties
Globularity: 0.040023	Sterimol/B1: 3.02009	Sterimol/B2: 3.19894	Sterimol/B3: 3.91293
Sterimol/B4: 4.96888	Sterimol/L: 15.7989

Surface and Volume Properties
Accessible surface: 474.408	Positive charged surface: 258.944	Negative charged surface: 215.463	Volume: 217.375
Hydrophobic surface: 202.729	Hydrophilic surface: 271.679

Pharmacophoric Properties
Hydrogen bond donors: 2	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.