MMsINC Database Search


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MMsINC code: MMs02716980

Type: Neutral
Formula: C₂₁H₂₀FNO₂S

SMILES:

S(=O)(=O)(NC(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C21H20FNO2S/c22-19-11-13-21(14-12-19)26(24,25)23-20(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,20,23H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4643 kcal/mol

Physical Properties
Molecular Weight: 369.46 g/mol	logS: -5.17658	SlogP: 3.95794	Reactive groups: 0

Topological Properties
Globularity: 0.224659	Sterimol/B1: 3.93417	Sterimol/B2: 4.18429	Sterimol/B3: 4.79271
Sterimol/B4: 5.92882	Sterimol/L: 13.9394

Surface and Volume Properties
Accessible surface: 550.024	Positive charged surface: 312.408	Negative charged surface: 237.616	Volume: 343.875
Hydrophobic surface: 506.539	Hydrophilic surface: 43.485

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.