MMsINC Database Search


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MMsINC code: MMs02978467

Type: Neutral
Formula: C₂₀H₂₄Cl₂N₂O₄S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NCCCOC

InChI:

InChI=1/C20H24Cl2N2O4S/c1-28-13-5-11-23-20(25)15-24(12-10-16-6-3-2-4-7-16)29(26,27)19-14-17(21)8-9-18(19)22/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2109 kcal/mol

Physical Properties
Molecular Weight: 459.394 g/mol	logS: -5.11337	SlogP: 3.37947	Reactive groups: 0

Topological Properties
Globularity: 0.102978	Sterimol/B1: 3.61241	Sterimol/B2: 4.69887	Sterimol/B3: 5.57233
Sterimol/B4: 9.17355	Sterimol/L: 18.589

Surface and Volume Properties
Accessible surface: 720.136	Positive charged surface: 415.396	Negative charged surface: 304.74	Volume: 404.125
Hydrophobic surface: 631.939	Hydrophilic surface: 88.197

Pharmacophoric Properties
Hydrogen bond donors: 1	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.