MMsINC Database Search


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MMsINC code: MMs00341413

Type: Neutral
Formula: C₁₉H₁₅FN₂O₃S

SMILES:

s1cccc1C(=O)Nc1ccc(NC(=O)c2cc(F)ccc2)cc1OC

InChI:

InChI=1/C19H15FN2O3S/c1-25-16-11-14(21-18(23)12-4-2-5-13(20)10-12)7-8-15(16)22-19(24)17-6-3-9-26-17/h2-11H,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.613 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -5.47689	SlogP: 4.4004	Reactive groups: 0

Topological Properties
Globularity: 0.017505	Sterimol/B1: 2.33313	Sterimol/B2: 2.60098	Sterimol/B3: 3.37354
Sterimol/B4: 8.07273	Sterimol/L: 20.1143

Surface and Volume Properties
Accessible surface: 616.233	Positive charged surface: 321.742	Negative charged surface: 294.491	Volume: 326.625
Hydrophobic surface: 538.67	Hydrophilic surface: 77.563

Pharmacophoric Properties
Hydrogen bond donors: 2	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.