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MMsINC code: MMs01725033

Type: Neutral
Formula: C₁₄H₂₀ClN₃O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NN1C(CCCC1C)C

InChI:

InChI=1/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9126 kcal/mol

Physical Properties
Molecular Weight: 345.851 g/mol	logS: -3.67335	SlogP: 1.8951	Reactive groups: 0

Topological Properties
Globularity: 0.100218	Sterimol/B1: 2.38186	Sterimol/B2: 3.79611	Sterimol/B3: 5.06031
Sterimol/B4: 7.16672	Sterimol/L: 15.7782

Surface and Volume Properties
Accessible surface: 547.655	Positive charged surface: 310.608	Negative charged surface: 237.047	Volume: 299.75
Hydrophobic surface: 363.786	Hydrophilic surface: 183.869

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01725034
FDA-ZINC00020256