MMsINC Database Search


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MMsINC code: MMs01646682

Type: Neutral
Formula: C₁₉H₁₈FNO₃S₂

SMILES:

s1cccc1S(=O)(=O)N(Cc1cc(F)c(OC)cc1)Cc1ccccc1

InChI:

InChI=1/C19H18FNO3S2/c1-24-18-10-9-16(12-17(18)20)14-21(13-15-6-3-2-4-7-15)26(22,23)19-8-5-11-25-19/h2-12H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8654 kcal/mol

Physical Properties
Molecular Weight: 391.487 g/mol	logS: -5.14461	SlogP: 4.8197	Reactive groups: 0

Topological Properties
Globularity: 0.0861896	Sterimol/B1: 3.22069	Sterimol/B2: 3.31744	Sterimol/B3: 4.62913
Sterimol/B4: 7.29718	Sterimol/L: 16.5055

Surface and Volume Properties
Accessible surface: 582.505	Positive charged surface: 312.087	Negative charged surface: 270.418	Volume: 345.25
Hydrophobic surface: 514.289	Hydrophilic surface: 68.216

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.