MMsINC Database Search


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MMsINC code: MMs02876706

Type: Neutral
Formula: C₁₆H₂₅ClN₂O₅S

SMILES:

Clc1cc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)C)ccc1OC

InChI:

InChI=1/C16H25ClN2O5S/c1-12(2)24-9-5-8-18-16(20)11-19(3)25(21,22)13-6-7-15(23-4)14(17)10-13/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3222 kcal/mol

Physical Properties
Molecular Weight: 392.904 g/mol	logS: -3.25451	SlogP: 1.9004	Reactive groups: 0

Topological Properties
Globularity: 0.0601762	Sterimol/B1: 3.51538	Sterimol/B2: 4.26473	Sterimol/B3: 5.26817
Sterimol/B4: 7.30055	Sterimol/L: 16.8543

Surface and Volume Properties
Accessible surface: 668.257	Positive charged surface: 454.644	Negative charged surface: 213.613	Volume: 356
Hydrophobic surface: 522.198	Hydrophilic surface: 146.059

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.