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MMsINC code: MMs00348250

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃S

SMILES:

Clc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCCc2c1cccc2

InChI:

InChI=1/C19H19ClN2O3S/c20-16-13-15(21-11-4-8-19(21)23)9-10-18(16)26(24,25)22-12-3-6-14-5-1-2-7-17(14)22/h1-2,5,7,9-10,13H,3-4,6,8,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0139 kcal/mol

Physical Properties
Molecular Weight: 390.891 g/mol	logS: -4.57086	SlogP: 3.60827	Reactive groups: 0

Topological Properties
Globularity: 0.152316	Sterimol/B1: 2.43122	Sterimol/B2: 3.09932	Sterimol/B3: 5.89207
Sterimol/B4: 8.0019	Sterimol/L: 14.9876

Surface and Volume Properties
Accessible surface: 575.05	Positive charged surface: 332.022	Negative charged surface: 243.029	Volume: 339.25
Hydrophobic surface: 488.094	Hydrophilic surface: 86.956

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.