MMsINC Database Search


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MMsINC code: MMs02208918

Type: Neutral
Formula: C₁₂H₄F₇NS

SMILES:

S(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ncccc1

InChI:

InChI=1/C12H4F7NS/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-5-3-1-2-4-20-5/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7922 kcal/mol

Physical Properties
Molecular Weight: 327.223 g/mol	logS: -5.51973	SlogP: 5.1195	Reactive groups: 0

Topological Properties
Globularity: 0.117774	Sterimol/B1: 3.86291	Sterimol/B2: 3.87791	Sterimol/B3: 3.97081
Sterimol/B4: 4.31595	Sterimol/L: 13.8275

Surface and Volume Properties
Accessible surface: 457.16	Positive charged surface: 158.157	Negative charged surface: 299.002	Volume: 224.75
Hydrophobic surface: 320.212	Hydrophilic surface: 136.948

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.