MMsINC Database Search


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MMsINC code: MMs02777169

Type: Neutral
Formula: C₁₈H₁₄FNO₄S₂

SMILES:

S(=O)(=O)(c1cc(S(=O)(=O)Nc2ccccc2F)ccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9446 kcal/mol

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

Topological Properties
Globularity: 0.164205	Sterimol/B1: 3.62347	Sterimol/B2: 4.03795	Sterimol/B3: 5.50366
Sterimol/B4: 6.31982	Sterimol/L: 14.6584

Surface and Volume Properties
Accessible surface: 572.426	Positive charged surface: 251.383	Negative charged surface: 321.043	Volume: 322.5
Hydrophobic surface: 445.12	Hydrophilic surface: 127.306

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.