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MMsINC code: MMs02714058

Type: Neutral
Formula: C₁₄H₁₉ClN₂O₄S

SMILES:

Clc1cc(C)c(OCC(=O)N)cc1S(=O)(=O)N1CCCCC1

InChI:

InChI=1/C14H19ClN2O4S/c1-10-7-11(15)13(8-12(10)21-9-14(16)18)22(19,20)17-5-3-2-4-6-17/h7-8H,2-6,9H2,1H3,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3537 kcal/mol

Physical Properties
Molecular Weight: 346.835 g/mol	logS: -3.27629	SlogP: 1.68712	Reactive groups: 0

Topological Properties
Globularity: 0.0658605	Sterimol/B1: 2.52294	Sterimol/B2: 2.57325	Sterimol/B3: 5.14223
Sterimol/B4: 7.90687	Sterimol/L: 15.0232

Surface and Volume Properties
Accessible surface: 547.723	Positive charged surface: 343.381	Negative charged surface: 204.341	Volume: 296.75
Hydrophobic surface: 381.393	Hydrophilic surface: 166.33

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.