MMsINC Database Search


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MMsINC code: MMs03828159

Type: Neutral
Formula: C₆H₇ClN₂O₂S

SMILES:

Clc1ncccc1S(=O)(=O)NC

InChI:

InChI=1/C6H7ClN2O2S/c1-8-12(10,11)5-3-2-4-9-6(5)7/h2-4,8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.47255 kcal/mol

Physical Properties
Molecular Weight: 206.653 g/mol	logS: -1.01027	SlogP: 0.6431	Reactive groups: 0

Topological Properties
Globularity: 0.21383	Sterimol/B1: 2.15001	Sterimol/B2: 2.6713	Sterimol/B3: 4.93091
Sterimol/B4: 5.45264	Sterimol/L: 10.0496

Surface and Volume Properties
Accessible surface: 349.203	Positive charged surface: 191.232	Negative charged surface: 157.971	Volume: 161.125
Hydrophobic surface: 247.185	Hydrophilic surface: 102.018

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.