MMsINC Database Search


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MMsINC code: MMs02690159

Type: Neutral
Formula: C₁₂H₁₀F₃N₃O₂S

SMILES:

S(=O)(=O)(N)c1ccc(nc1)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C12H10F3N3O2S/c13-12(14,15)8-2-1-3-9(6-8)18-11-5-4-10(7-17-11)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5595 kcal/mol

Physical Properties
Molecular Weight: 317.291 g/mol	logS: -3.34148	SlogP: 2.8029	Reactive groups: 0

Topological Properties
Globularity: 0.0655322	Sterimol/B1: 2.2018	Sterimol/B2: 2.48058	Sterimol/B3: 4.68443
Sterimol/B4: 5.98345	Sterimol/L: 15.1128

Surface and Volume Properties
Accessible surface: 492.364	Positive charged surface: 216.788	Negative charged surface: 275.576	Volume: 241.625
Hydrophobic surface: 227.696	Hydrophilic surface: 264.668

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02690160
PUBCHEM-ZINC00481385