MMsINC Database Search


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MMsINC code: MMs00506008

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1ccccc1F)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C21H19FN2O3S/c1-16(25)23-18-11-13-19(14-12-18)28(26,27)24(15-17-7-3-2-4-8-17)21-10-6-5-9-20(21)22/h2-14H,15H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.771 kcal/mol

Physical Properties
Molecular Weight: 398.458 g/mol	logS: -5.39463	SlogP: 4.446	Reactive groups: 0

Topological Properties
Globularity: 0.0492715	Sterimol/B1: 3.19673	Sterimol/B2: 4.39296	Sterimol/B3: 4.81483
Sterimol/B4: 6.89798	Sterimol/L: 18.1396

Surface and Volume Properties
Accessible surface: 613.753	Positive charged surface: 338.353	Negative charged surface: 275.4	Volume: 360.875
Hydrophobic surface: 513.481	Hydrophilic surface: 100.272

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.