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MMsINC code: MMs01391354

Type: Neutral
Formula: C₂₃H₂₂Cl₂N₂O₂S

SMILES:

Clc1cc(S(=O)(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)ccc1Cl

InChI:

InChI=1/C23H22Cl2N2O2S/c24-21-12-11-20(17-22(21)25)30(28,29)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.017 kcal/mol

Physical Properties
Molecular Weight: 461.413 g/mol	logS: -6.34955	SlogP: 5.1848	Reactive groups: 0

Topological Properties
Globularity: 0.123252	Sterimol/B1: 2.37661	Sterimol/B2: 3.50277	Sterimol/B3: 5.23002
Sterimol/B4: 9.33287	Sterimol/L: 16.6411

Surface and Volume Properties
Accessible surface: 693.972	Positive charged surface: 337.796	Negative charged surface: 356.176	Volume: 409.875
Hydrophobic surface: 640.664	Hydrophilic surface: 53.308

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs01391355
ENAMINE-ZINC03353908