MMsINC Database Search


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MMsINC code: MMs00285195

Type: Neutral
Formula: C₁₁H₁₆ClNO₃S

SMILES:

ClCCNS(=O)(=O)c1ccc(OCCC)cc1

InChI:

InChI=1/C11H16ClNO3S/c1-2-9-16-10-3-5-11(6-4-10)17(14,15)13-8-7-12/h3-6,13H,2,7-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.0312 kcal/mol

Physical Properties
Molecular Weight: 277.772 g/mol	logS: -2.5675	SlogP: 1.9925	Reactive groups: 1

Topological Properties
Globularity: 0.0632412	Sterimol/B1: 3.4237	Sterimol/B2: 3.95676	Sterimol/B3: 4.3881
Sterimol/B4: 5.67251	Sterimol/L: 15.4413

Surface and Volume Properties
Accessible surface: 510.056	Positive charged surface: 282.906	Negative charged surface: 227.15	Volume: 244.625
Hydrophobic surface: 324.345	Hydrophilic surface: 185.711

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.