MMsINC Database Search


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MMsINC code: MMs00556555

Type: Neutral
Formula: C₁₀H₁₄ClNO₄S

SMILES:

ClCCNS(=O)(=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C10H14ClNO4S/c1-15-9-4-3-8(7-10(9)16-2)17(13,14)12-6-5-11/h3-4,7,12H,5-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.8139 kcal/mol

Physical Properties
Molecular Weight: 279.744 g/mol	logS: -2.0889	SlogP: 1.2209	Reactive groups: 1

Topological Properties
Globularity: 0.146213	Sterimol/B1: 3.21305	Sterimol/B2: 3.50918	Sterimol/B3: 5.08267
Sterimol/B4: 6.67724	Sterimol/L: 13.5779

Surface and Volume Properties
Accessible surface: 482.472	Positive charged surface: 298.567	Negative charged surface: 183.905	Volume: 234.125
Hydrophobic surface: 309.722	Hydrophilic surface: 172.75

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.