MMsINC Database Search


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MMsINC code: MMs01497314

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccccc1

InChI:

InChI=1/C16H17ClN2O3S/c1-19(2)23(21,22)13-8-9-15(17)14(10-13)16(20)18-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8844 kcal/mol

Physical Properties
Molecular Weight: 352.842 g/mol	logS: -3.94676	SlogP: 2.7867	Reactive groups: 0

Topological Properties
Globularity: 0.0863655	Sterimol/B1: 2.37284	Sterimol/B2: 3.05142	Sterimol/B3: 4.44499
Sterimol/B4: 9.4079	Sterimol/L: 14.1718

Surface and Volume Properties
Accessible surface: 585.395	Positive charged surface: 336.334	Negative charged surface: 249.061	Volume: 313.625
Hydrophobic surface: 491.329	Hydrophilic surface: 94.066

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.