MMsINC Database Search


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MMsINC code: MMs01707869

Type: Neutral
Formula: C₁₇H₁₀F₆N₂OS

SMILES:

S(C)C1=Nc2c(cccc2)C(=O)N1c1cc(ccc1C(F)(F)F)C(F)(F)F

InChI:

InChI=1/C17H10F6N2OS/c1-27-15-24-12-5-3-2-4-10(12)14(26)25(15)13-8-9(16(18,19)20)6-7-11(13)17(21,22)23/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2212 kcal/mol

Physical Properties
Molecular Weight: 404.334 g/mol	logS: -7.07026	SlogP: 6.3581	Reactive groups: 0

Topological Properties
Globularity: 0.210603	Sterimol/B1: 2.45575	Sterimol/B2: 4.31531	Sterimol/B3: 5.58211
Sterimol/B4: 8.48171	Sterimol/L: 14.6766

Surface and Volume Properties
Accessible surface: 545.957	Positive charged surface: 204.797	Negative charged surface: 341.16	Volume: 305.625
Hydrophobic surface: 318.236	Hydrophilic surface: 227.721

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.