MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01384794

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₄S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2OC)ccc1F

InChI:

InChI=1/C20H16ClFN2O4S/c1-28-19-5-3-2-4-18(19)23-20(25)13-6-8-14(9-7-13)24-29(26,27)15-10-11-17(22)16(21)12-15/h2-12,24H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.851 kcal/mol

Physical Properties
Molecular Weight: 434.875 g/mol	logS: -6.09636	SlogP: 4.5408	Reactive groups: 0

Topological Properties
Globularity: 0.094909	Sterimol/B1: 2.28803	Sterimol/B2: 3.52474	Sterimol/B3: 5.6817
Sterimol/B4: 7.2549	Sterimol/L: 18.4235

Surface and Volume Properties
Accessible surface: 661.925	Positive charged surface: 333.071	Negative charged surface: 328.854	Volume: 360.5
Hydrophobic surface: 542.853	Hydrophilic surface: 119.072

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.