MMsINC Database Search


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MMsINC code: MMs01375429

Type: Neutral
Formula: C₁₃H₁₀FN₃O₂S

SMILES:

S(=O)(=O)(Nc1cc2n[nH]cc2cc1)c1ccccc1F

InChI:

InChI=1/C13H10FN3O2S/c14-11-3-1-2-4-13(11)20(18,19)17-10-6-5-9-8-15-16-12(9)7-10/h1-8,17H,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8556 kcal/mol

Physical Properties
Molecular Weight: 291.306 g/mol	logS: -3.62442	SlogP: 2.5028	Reactive groups: 0

Topological Properties
Globularity: 0.146615	Sterimol/B1: 2.49768	Sterimol/B2: 3.66212	Sterimol/B3: 4.00964
Sterimol/B4: 6.86875	Sterimol/L: 12.902

Surface and Volume Properties
Accessible surface: 457.301	Positive charged surface: 227.858	Negative charged surface: 224.337	Volume: 237.625
Hydrophobic surface: 278.908	Hydrophilic surface: 178.393

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.