MMsINC Database Search


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MMsINC code: MMs01224535

Type: Neutral
Formula: C₁₅H₁₄ClNO₄S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2C(OCC)=O)cc1

InChI:

InChI=1/C15H14ClNO4S/c1-2-21-15(18)13-5-3-4-6-14(13)17-22(19,20)12-9-7-11(16)8-10-12/h3-10,17H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.093 kcal/mol

Physical Properties
Molecular Weight: 339.799 g/mol	logS: -4.48995	SlogP: 3.3175	Reactive groups: 0

Topological Properties
Globularity: 0.218059	Sterimol/B1: 4.06585	Sterimol/B2: 4.49048	Sterimol/B3: 5.62689
Sterimol/B4: 6.76803	Sterimol/L: 13.4456

Surface and Volume Properties
Accessible surface: 547.613	Positive charged surface: 272.996	Negative charged surface: 274.617	Volume: 289.5
Hydrophobic surface: 426.575	Hydrophilic surface: 121.038

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.