MMsINC Database Search


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MMsINC code: MMs02729115

Type: Neutral
Formula: C₂₀H₁₉FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)c1ccc(F)cc1

InChI:

InChI=1/C20H19FN2O4S2/c1-23(15-16-5-3-2-4-6-16)29(26,27)20-13-9-18(10-14-20)22-28(24,25)19-11-7-17(21)8-12-19/h2-14,22H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3377 kcal/mol

Physical Properties
Molecular Weight: 434.512 g/mol	logS: -5.02316	SlogP: 3.7136	Reactive groups: 0

Topological Properties
Globularity: 0.0716431	Sterimol/B1: 2.33049	Sterimol/B2: 2.91493	Sterimol/B3: 5.20918
Sterimol/B4: 7.2142	Sterimol/L: 17.8416

Surface and Volume Properties
Accessible surface: 647.931	Positive charged surface: 336.252	Negative charged surface: 311.68	Volume: 372
Hydrophobic surface: 516.281	Hydrophilic surface: 131.65

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.