MMsINC Database Search


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MMsINC code: MMs01065710

Type: Neutral
Formula: C₁₆H₁₄FN₃O₂S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1C)c1ccc(-n2nccc2)cc1

InChI:

InChI=1/C16H14FN3O2S/c1-12-11-13(17)3-8-16(12)19-23(21,22)15-6-4-14(5-7-15)20-10-2-9-18-20/h2-11,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9389 kcal/mol

Physical Properties
Molecular Weight: 331.371 g/mol	logS: -3.65608	SlogP: 3.12062	Reactive groups: 0

Topological Properties
Globularity: 0.184817	Sterimol/B1: 2.39805	Sterimol/B2: 4.65424	Sterimol/B3: 5.99904
Sterimol/B4: 6.77738	Sterimol/L: 13.8136

Surface and Volume Properties
Accessible surface: 533.201	Positive charged surface: 262.895	Negative charged surface: 270.305	Volume: 288.5
Hydrophobic surface: 424.353	Hydrophilic surface: 108.848

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.