MMsINC Database Search


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MMsINC code: MMs00334715

Type: Neutral
Formula: C₁₂H₁₁FN₂O₂S

SMILES:

S(=O)(=O)(NCc1ccncc1)c1cc(F)ccc1

InChI:

InChI=1/C12H11FN2O2S/c13-11-2-1-3-12(8-11)18(16,17)15-9-10-4-6-14-7-5-10/h1-8,15H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.1902 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -2.0276	SlogP: 1.9656	Reactive groups: 0

Topological Properties
Globularity: 0.121834	Sterimol/B1: 2.53469	Sterimol/B2: 4.31651	Sterimol/B3: 4.56702
Sterimol/B4: 5.75102	Sterimol/L: 13.6454

Surface and Volume Properties
Accessible surface: 458.939	Positive charged surface: 254.049	Negative charged surface: 204.89	Volume: 228
Hydrophobic surface: 359.922	Hydrophilic surface: 99.017

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.