MMsINC Database Search


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MMsINC code: MMs00445217

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccccc1C

InChI:

InChI=1/C18H15FN2O3S2/c1-12-4-2-3-5-16(12)20-18(22)17-10-15(11-25-17)26(23,24)21-14-8-6-13(19)7-9-14/h2-11,21H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2045 kcal/mol

Physical Properties
Molecular Weight: 390.459 g/mol	logS: -5.27883	SlogP: 4.24872	Reactive groups: 0

Topological Properties
Globularity: 0.126335	Sterimol/B1: 2.59795	Sterimol/B2: 4.26118	Sterimol/B3: 6.12292
Sterimol/B4: 6.62524	Sterimol/L: 14.9731

Surface and Volume Properties
Accessible surface: 603.947	Positive charged surface: 277.074	Negative charged surface: 326.873	Volume: 328.375
Hydrophobic surface: 490.422	Hydrophilic surface: 113.525

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.