MMsINC Database Search


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MMsINC code: MMs01740727

Type: Neutral
Formula: C₈H₁₀ClNO₂S

SMILES:

ClCNS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C8H10ClNO2S/c1-7-2-4-8(5-3-7)13(11,12)10-6-9/h2-5,10H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-8.23043 kcal/mol

Physical Properties
Molecular Weight: 219.692 g/mol	logS: -2.16756	SlogP: 1.46962	Reactive groups: 1

Topological Properties
Globularity: 0.126581	Sterimol/B1: 3.10887	Sterimol/B2: 3.8479	Sterimol/B3: 4.21559
Sterimol/B4: 4.45107	Sterimol/L: 11.9814

Surface and Volume Properties
Accessible surface: 397.16	Positive charged surface: 174.508	Negative charged surface: 222.652	Volume: 183.125
Hydrophobic surface: 231.489	Hydrophilic surface: 165.671

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.