MMsINC Database Search


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MMsINC code: MMs03169995

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₄S

SMILES:

Clc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H23ClN2O4S/c1-13(2)22-27(24,25)16-9-10-18(17(20)11-16)26-12-19(23)21-14(3)15-7-5-4-6-8-15/h4-11,13-14,22H,12H2,1-3H3,(H,21,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4466 kcal/mol

Physical Properties
Molecular Weight: 410.922 g/mol	logS: -4.92963	SlogP: 3.3784	Reactive groups: 0

Topological Properties
Globularity: 0.0482626	Sterimol/B1: 3.99612	Sterimol/B2: 4.0311	Sterimol/B3: 4.41538
Sterimol/B4: 5.35997	Sterimol/L: 20.4638

Surface and Volume Properties
Accessible surface: 686.629	Positive charged surface: 367.561	Negative charged surface: 319.068	Volume: 371
Hydrophobic surface: 508.826	Hydrophilic surface: 177.803

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.