MMsINC Database Search


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MMsINC code: MMs01517465

Type: Neutral
Formula: C₁₄H₁₄ClNO₂S

SMILES:

Clc1ccccc1NS(=O)(=O)c1cc(C)c(cc1)C

InChI:

InChI=1/C14H14ClNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h3-9,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.243 kcal/mol

Physical Properties
Molecular Weight: 295.79 g/mol	logS: -4.72885	SlogP: 3.75764	Reactive groups: 0

Topological Properties
Globularity: 0.218218	Sterimol/B1: 3.6926	Sterimol/B2: 3.90034	Sterimol/B3: 5.23534
Sterimol/B4: 5.92863	Sterimol/L: 11.7944

Surface and Volume Properties
Accessible surface: 482.2	Positive charged surface: 225.866	Negative charged surface: 256.335	Volume: 259.125
Hydrophobic surface: 405.379	Hydrophilic surface: 76.821

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.