MMsINC Database Search


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MMsINC code: MMs02738305

Type: Neutral
Formula: C₁₇H₁₅Cl₃N₂O₄S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Cl

InChI:

InChI=1/C17H15Cl3N2O4S/c18-12-3-1-2-4-15(12)21-17(23)11-9-16(14(20)10-13(11)19)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.218 kcal/mol

Physical Properties
Molecular Weight: 449.742 g/mol	logS: -5.76278	SlogP: 3.92	Reactive groups: 0

Topological Properties
Globularity: 0.0549483	Sterimol/B1: 2.25054	Sterimol/B2: 4.38544	Sterimol/B3: 5.28758
Sterimol/B4: 6.2764	Sterimol/L: 17.5372

Surface and Volume Properties
Accessible surface: 614.427	Positive charged surface: 295.019	Negative charged surface: 319.407	Volume: 351.875
Hydrophobic surface: 529.398	Hydrophilic surface: 85.029

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.