MMsINC Database Search


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MMsINC code: MMs02780950

Type: Neutral
Formula: C₁₇H₁₉ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)C)C)cc1

InChI:

InChI=1/C17H19ClN2O3S/c1-19(12-14-6-4-3-5-7-14)17(21)13-20(2)24(22,23)16-10-8-15(18)9-11-16/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2375 kcal/mol

Physical Properties
Molecular Weight: 366.869 g/mol	logS: -3.86721	SlogP: 2.8855	Reactive groups: 0

Topological Properties
Globularity: 0.234227	Sterimol/B1: 2.27559	Sterimol/B2: 2.61257	Sterimol/B3: 5.93453
Sterimol/B4: 8.42506	Sterimol/L: 13.9783

Surface and Volume Properties
Accessible surface: 586.454	Positive charged surface: 333.465	Negative charged surface: 252.989	Volume: 330
Hydrophobic surface: 511.826	Hydrophilic surface: 74.628

Pharmacophoric Properties
Hydrogen bond donors: 0	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.