MMsINC Database Search


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MMsINC code: MMs00334714

Type: Neutral
Formula: C₁₂H₁₁FN₂O₂S

SMILES:

S(=O)(=O)(NCc1ccncc1)c1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.7525 kcal/mol

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

Topological Properties
Globularity: 0.107332	Sterimol/B1: 2.6516	Sterimol/B2: 3.20989	Sterimol/B3: 3.41525
Sterimol/B4: 5.66341	Sterimol/L: 13.6513

Surface and Volume Properties
Accessible surface: 454.113	Positive charged surface: 252.261	Negative charged surface: 201.851	Volume: 226.625
Hydrophobic surface: 353.027	Hydrophilic surface: 101.086

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.