MMsINC Database Search


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MMsINC code: MMs01590027

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)\N=C(\Nc2ccc(OC)cc2)/c2ccccc2)cc1

InChI:

InChI=1/C20H17ClN2O3S/c1-26-18-11-9-17(10-12-18)22-20(15-5-3-2-4-6-15)23-27(24,25)19-13-7-16(21)8-14-19/h2-14H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.986 kcal/mol

Physical Properties
Molecular Weight: 400.886 g/mol	logS: -6.28126	SlogP: 4.5962	Reactive groups: 0

Topological Properties
Globularity: 0.0968518	Sterimol/B1: 2.68031	Sterimol/B2: 3.04127	Sterimol/B3: 5.39537
Sterimol/B4: 7.37347	Sterimol/L: 19.0499

Surface and Volume Properties
Accessible surface: 639.743	Positive charged surface: 322.123	Negative charged surface: 317.62	Volume: 352.75
Hydrophobic surface: 566.266	Hydrophilic surface: 73.477

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.