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MMsINC code: MMs02943261

Type: Neutral
Formula: C₂₁H₂₄Cl₂N₂O₄S

SMILES:

Clc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccc(Cl)cc1

InChI:

InChI=1/C21H24Cl2N2O4S/c22-16-8-6-15(7-9-16)13-24-21(26)14-29-20-11-10-18(12-19(20)23)30(27,28)25-17-4-2-1-3-5-17/h6-12,17,25H,1-5,13-14H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1945 kcal/mol

Physical Properties
Molecular Weight: 471.405 g/mol	logS: -6.15343	SlogP: 4.566	Reactive groups: 0

Topological Properties
Globularity: 0.0501596	Sterimol/B1: 4.4384	Sterimol/B2: 4.6801	Sterimol/B3: 5.13022
Sterimol/B4: 5.44304	Sterimol/L: 22.2449

Surface and Volume Properties
Accessible surface: 746.512	Positive charged surface: 397.838	Negative charged surface: 348.673	Volume: 408.75
Hydrophobic surface: 610.414	Hydrophilic surface: 136.098

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: 0

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Ions/Tautomers related molecules: no related molecules available.