MMsINC Database Search


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MMsINC code: MMs02941881

Type: Neutral
Formula: C₁₄H₁₄ClNO₂S

SMILES:

Clc1ccccc1CNS(=O)(=O)Cc1ccccc1

InChI:

InChI=1/C14H14ClNO2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h1-9,16H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.9801 kcal/mol

Physical Properties
Molecular Weight: 295.79 g/mol	logS: -3.66909	SlogP: 3.4924	Reactive groups: 0

Topological Properties
Globularity: 0.0599814	Sterimol/B1: 3.09118	Sterimol/B2: 3.70679	Sterimol/B3: 4.1415
Sterimol/B4: 4.32331	Sterimol/L: 16.6564

Surface and Volume Properties
Accessible surface: 506.534	Positive charged surface: 247.518	Negative charged surface: 259.016	Volume: 264.375
Hydrophobic surface: 434.582	Hydrophilic surface: 71.952

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.