MMsINC Database Search


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MMsINC code: MMs00499515

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1ccccc1CS(=O)(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C15H16ClNO2S/c1-17(11-13-7-3-2-4-8-13)20(18,19)12-14-9-5-6-10-15(14)16/h2-10H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9145 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -3.74467	SlogP: 3.8346	Reactive groups: 0

Topological Properties
Globularity: 0.071642	Sterimol/B1: 2.21848	Sterimol/B2: 3.22243	Sterimol/B3: 4.20255
Sterimol/B4: 7.1394	Sterimol/L: 15.3761

Surface and Volume Properties
Accessible surface: 511.279	Positive charged surface: 281.84	Negative charged surface: 229.439	Volume: 282.125
Hydrophobic surface: 469.971	Hydrophilic surface: 41.308

Pharmacophoric Properties
Hydrogen bond donors: 0	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.