MMsINC Database Search


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MMsINC code: MMs02743056

Type: Neutral
Formula: C₁₉H₂₃FN₂O₄S₂

SMILES:

S(=O)(=O)(N1CCC(CC1)C)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1

InChI:

InChI=1/C19H23FN2O4S2/c1-15-10-12-22(13-11-15)28(25,26)19-8-6-18(7-9-19)27(23,24)21-14-16-2-4-17(20)5-3-16/h2-9,15,21H,10-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.9445 kcal/mol

Physical Properties
Molecular Weight: 426.533 g/mol	logS: -4.46867	SlogP: 2.9912	Reactive groups: 0

Topological Properties
Globularity: 0.0519004	Sterimol/B1: 3.93913	Sterimol/B2: 4.09734	Sterimol/B3: 4.46764
Sterimol/B4: 5.29865	Sterimol/L: 21.0313

Surface and Volume Properties
Accessible surface: 666.343	Positive charged surface: 370.646	Negative charged surface: 295.697	Volume: 368.875
Hydrophobic surface: 509.212	Hydrophilic surface: 157.131

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.