MMsINC Database Search


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MMsINC code: MMs00165606

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCc1ccccc1

InChI:

InChI=1/C18H19ClN2O4S/c19-16-7-6-15(18(22)20-13-14-4-2-1-3-5-14)12-17(16)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5134 kcal/mol

Physical Properties
Molecular Weight: 394.879 g/mol	logS: -4.23824	SlogP: 2.5573	Reactive groups: 0

Topological Properties
Globularity: 0.0544087	Sterimol/B1: 3.31714	Sterimol/B2: 4.36794	Sterimol/B3: 4.60355
Sterimol/B4: 4.90978	Sterimol/L: 18.5792

Surface and Volume Properties
Accessible surface: 618.901	Positive charged surface: 357.92	Negative charged surface: 260.982	Volume: 341.25
Hydrophobic surface: 508.391	Hydrophilic surface: 110.51

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.