MMsINC Database Search


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MMsINC code: MMs02778870

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₄S₂

SMILES:

Clc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C18H14ClFN2O4S2/c19-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(8-12-16)21-27(23,24)15-9-5-13(20)6-10-15/h1-12,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6341 kcal/mol

Physical Properties
Molecular Weight: 440.903 g/mol	logS: -5.73783	SlogP: 4.0807	Reactive groups: 0

Topological Properties
Globularity: 0.130865	Sterimol/B1: 2.52173	Sterimol/B2: 4.21486	Sterimol/B3: 6.18734
Sterimol/B4: 6.36789	Sterimol/L: 15.7475

Surface and Volume Properties
Accessible surface: 614.536	Positive charged surface: 257.488	Negative charged surface: 357.048	Volume: 349.75
Hydrophobic surface: 458.989	Hydrophilic surface: 155.547

Pharmacophoric Properties
Hydrogen bond donors: 2	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.