MMsINC Database Search


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MMsINC code: MMs01684856

Type: Neutral
Formula: C₁₅H₁₇F₂NO₆S

SMILES:

S1(=O)(=O)CC(N(C(=O)COC(=O)c2ccc(OC(F)F)cc2)C)CC1

InChI:

InChI=1/C15H17F2NO6S/c1-18(11-6-7-25(21,22)9-11)13(19)8-23-14(20)10-2-4-12(5-3-10)24-15(16)17/h2-5,11,15H,6-9H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8901 kcal/mol

Physical Properties
Molecular Weight: 377.364 g/mol	logS: -2.42922	SlogP: 1.5102	Reactive groups: 0

Topological Properties
Globularity: 0.0319736	Sterimol/B1: 2.53665	Sterimol/B2: 3.5769	Sterimol/B3: 3.6481
Sterimol/B4: 6.4371	Sterimol/L: 19.02

Surface and Volume Properties
Accessible surface: 591.925	Positive charged surface: 319.319	Negative charged surface: 272.605	Volume: 306
Hydrophobic surface: 356.896	Hydrophilic surface: 235.029

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.