MMsINC Database Search


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MMsINC code: MMs01357469

Type: Neutral
Formula: C₂₀H₂₄F₂N₂O₃S

SMILES:

S(=O)(=O)(N(CCC(C)C)CC(=O)NCc1ccc(F)cc1)c1ccccc1F

InChI:

InChI=1/C20H24F2N2O3S/c1-15(2)11-12-24(28(26,27)19-6-4-3-5-18(19)22)14-20(25)23-13-16-7-9-17(21)10-8-16/h3-10,15H,11-14H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1328 kcal/mol

Physical Properties
Molecular Weight: 410.485 g/mol	logS: -5.38829	SlogP: 3.5844	Reactive groups: 0

Topological Properties
Globularity: 0.0718902	Sterimol/B1: 2.24259	Sterimol/B2: 3.32648	Sterimol/B3: 4.56928
Sterimol/B4: 10.8323	Sterimol/L: 17.0186

Surface and Volume Properties
Accessible surface: 656.356	Positive charged surface: 382.161	Negative charged surface: 274.195	Volume: 373.875
Hydrophobic surface: 535	Hydrophilic surface: 121.356

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.