MMsINC Database Search


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MMsINC code: MMs01379115

Type: Neutral
Formula: C₁₈H₂₁FN₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(NS(=O)(=O)c2cc(F)ccc2)cc1

InChI:

InChI=1/C18H21FN2O4S2/c19-15-6-5-7-18(14-15)26(22,23)20-16-8-10-17(11-9-16)27(24,25)21-12-3-1-2-4-13-21/h5-11,14,20H,1-4,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2335 kcal/mol

Physical Properties
Molecular Weight: 412.506 g/mol	logS: -4.21118	SlogP: 3.1912	Reactive groups: 0

Topological Properties
Globularity: 0.0742141	Sterimol/B1: 2.9626	Sterimol/B2: 3.06064	Sterimol/B3: 4.75708
Sterimol/B4: 6.3156	Sterimol/L: 16.6862

Surface and Volume Properties
Accessible surface: 606.203	Positive charged surface: 339.434	Negative charged surface: 266.769	Volume: 352
Hydrophobic surface: 475.908	Hydrophilic surface: 130.295

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.