MMsINC Database Search


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MMsINC code: MMs01524372

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₃S

SMILES:

Clc1cc(F)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1

InChI:

InChI=1/C20H16ClFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-7-14(8-11-17)20(25)23-19-12-9-15(21)13-18(19)22/h2-13H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.906 kcal/mol

Physical Properties
Molecular Weight: 418.876 g/mol	logS: -6.12156	SlogP: 4.5565	Reactive groups: 0

Topological Properties
Globularity: 0.0703809	Sterimol/B1: 2.34316	Sterimol/B2: 3.24706	Sterimol/B3: 4.82054
Sterimol/B4: 7.25301	Sterimol/L: 19.4522

Surface and Volume Properties
Accessible surface: 629.308	Positive charged surface: 288.33	Negative charged surface: 340.978	Volume: 353
Hydrophobic surface: 539.997	Hydrophilic surface: 89.311

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.