MMsINC Database Search


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MMsINC code: MMs02716133

Type: Neutral
Formula: C₁₉H₁₃FN₂O₂S₂

SMILES:

s1c2c(nc1-c1cc(NS(=O)(=O)c3ccccc3F)ccc1)cccc2

InChI:

InChI=1/C19H13FN2O2S2/c20-15-8-1-4-11-18(15)26(23,24)22-14-7-5-6-13(12-14)19-21-16-9-2-3-10-17(16)25-19/h1-12,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0141 kcal/mol

Physical Properties
Molecular Weight: 384.455 g/mol	logS: -6.71247	SlogP: 4.9032	Reactive groups: 0

Topological Properties
Globularity: 0.106693	Sterimol/B1: 3.67914	Sterimol/B2: 4.49565	Sterimol/B3: 4.62629
Sterimol/B4: 5.64558	Sterimol/L: 15.742

Surface and Volume Properties
Accessible surface: 589.075	Positive charged surface: 284.167	Negative charged surface: 304.908	Volume: 323.125
Hydrophobic surface: 482.215	Hydrophilic surface: 106.86

Pharmacophoric Properties
Hydrogen bond donors: 1	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.