MMsINC Database Search


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MMsINC code: MMs00108216

Type: Neutral
Formula: C₁₁H₁₆ClNO₂S

SMILES:

ClC(CNS(=O)(=O)c1ccc(cc1)C)(C)C

InChI:

InChI=1/C11H16ClNO2S/c1-9-4-6-10(7-5-9)16(14,15)13-8-11(2,3)12/h4-7,13H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.334 kcal/mol

Physical Properties
Molecular Weight: 261.773 g/mol	logS: -3.11648	SlogP: 2.71062	Reactive groups: 0

Topological Properties
Globularity: 0.143426	Sterimol/B1: 2.64771	Sterimol/B2: 3.06255	Sterimol/B3: 4.73605
Sterimol/B4: 6.32577	Sterimol/L: 13.5222

Surface and Volume Properties
Accessible surface: 469.729	Positive charged surface: 236.357	Negative charged surface: 233.372	Volume: 237.125
Hydrophobic surface: 311.68	Hydrophilic surface: 158.049

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.