MMsINC Database Search


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MMsINC code: MMs00839480

Type: Neutral
Formula: C₁₆H₁₃FN₂O₂S

SMILES:

S(=O)(=O)(Nc1cc(F)ccc1C)c1c2ncccc2ccc1

InChI:

InChI=1/C16H13FN2O2S/c1-11-7-8-13(17)10-14(11)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6572 kcal/mol

Physical Properties
Molecular Weight: 316.356 g/mol	logS: -4.09071	SlogP: 3.48312	Reactive groups: 0

Topological Properties
Globularity: 0.280674	Sterimol/B1: 2.22242	Sterimol/B2: 3.69927	Sterimol/B3: 5.26513
Sterimol/B4: 7.79808	Sterimol/L: 11.5616

Surface and Volume Properties
Accessible surface: 492.729	Positive charged surface: 246.995	Negative charged surface: 240.581	Volume: 272.625
Hydrophobic surface: 417.077	Hydrophilic surface: 75.652

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.