MMsINC Database Search


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MMsINC code: MMs03164852

Type: Neutral
Formula: C₁₈H₂₁FN₂O₄S₂

SMILES:

S(=O)(=O)(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C18H21FN2O4S2/c19-14-6-10-17(11-7-14)26(22,23)21-16-8-12-18(13-9-16)27(24,25)20-15-4-2-1-3-5-15/h6-13,15,20-21H,1-5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.7112 kcal/mol

Physical Properties
Molecular Weight: 412.506 g/mol	logS: -4.65082	SlogP: 3.2375	Reactive groups: 0

Topological Properties
Globularity: 0.0946739	Sterimol/B1: 2.42295	Sterimol/B2: 4.65507	Sterimol/B3: 5.25502
Sterimol/B4: 5.4915	Sterimol/L: 17.0033

Surface and Volume Properties
Accessible surface: 619.25	Positive charged surface: 344.321	Negative charged surface: 274.929	Volume: 350.125
Hydrophobic surface: 463.684	Hydrophilic surface: 155.566

Pharmacophoric Properties
Hydrogen bond donors: 2	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.