MMsINC Database Search


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MMsINC code: MMs01268649

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(cc2)C(C)C)c(N2CCOCC2)cc1

InChI:

InChI=1/C19H23ClN2O3S/c1-14(2)15-3-6-17(7-4-15)26(23,24)21-18-13-16(20)5-8-19(18)22-9-11-25-12-10-22/h3-8,13-14,21H,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.19 kcal/mol

Physical Properties
Molecular Weight: 394.923 g/mol	logS: -5.50426	SlogP: 4.1008	Reactive groups: 0

Topological Properties
Globularity: 0.21063	Sterimol/B1: 4.48934	Sterimol/B2: 4.74501	Sterimol/B3: 5.84831
Sterimol/B4: 7.17544	Sterimol/L: 15.5185

Surface and Volume Properties
Accessible surface: 616.064	Positive charged surface: 368.007	Negative charged surface: 248.057	Volume: 356
Hydrophobic surface: 478.833	Hydrophilic surface: 137.231

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

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Ions/Tautomers related molecules: no related molecules available.