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MMsINC code: MMs02714035

Type: Neutral
Formula: C₁₄H₁₉ClN₂O₄S

SMILES:

Clc1cc(C)c(OCC(=O)N)cc1S(=O)(=O)NC1CCCC1

InChI:

InChI=1/C14H19ClN2O4S/c1-9-6-11(15)13(7-12(9)21-8-14(16)18)22(19,20)17-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.446 kcal/mol

Physical Properties
Molecular Weight: 346.835 g/mol	logS: -3.40248	SlogP: 1.73342	Reactive groups: 0

Topological Properties
Globularity: 0.125392	Sterimol/B1: 2.7196	Sterimol/B2: 2.89606	Sterimol/B3: 6.06312
Sterimol/B4: 8.06173	Sterimol/L: 14.0366

Surface and Volume Properties
Accessible surface: 556.825	Positive charged surface: 336.972	Negative charged surface: 219.852	Volume: 297.875
Hydrophobic surface: 376.729	Hydrophilic surface: 180.096

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: 1

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Ions/Tautomers related molecules: no related molecules available.