MMsINC Database Search


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MMsINC code: MMs00858990

Type: Neutral
Formula: C₁₈H₁₄FNO₄S₂

SMILES:

S(=O)(=O)(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1)c1ccccc1

InChI:

InChI=1/C18H14FNO4S2/c19-14-9-11-15(12-10-14)20-26(23,24)18-8-4-7-17(13-18)25(21,22)16-5-2-1-3-6-16/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6304 kcal/mol

Physical Properties
Molecular Weight: 391.443 g/mol	logS: -5.30625	SlogP: 3.4593	Reactive groups: 0

Topological Properties
Globularity: 0.0822469	Sterimol/B1: 3.13556	Sterimol/B2: 4.25331	Sterimol/B3: 4.8072
Sterimol/B4: 4.95576	Sterimol/L: 16.6539

Surface and Volume Properties
Accessible surface: 584.047	Positive charged surface: 262.51	Negative charged surface: 321.537	Volume: 323.125
Hydrophobic surface: 443.108	Hydrophilic surface: 140.939

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.