MMsINC Database Search


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MMsINC code: MMs01314903

Type: Neutral
Formula: C₁₃H₁₀ClNO₄S

SMILES:

Clc1ccccc1NS(=O)(=O)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C13H10ClNO4S/c14-11-3-1-2-4-12(11)15-20(18,19)10-7-5-9(6-8-10)13(16)17/h1-8,15H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.137 kcal/mol

Physical Properties
Molecular Weight: 311.745 g/mol	logS: -3.75041	SlogP: 2.839	Reactive groups: 0

Topological Properties
Globularity: 0.19694	Sterimol/B1: 3.03978	Sterimol/B2: 3.13697	Sterimol/B3: 5.79721
Sterimol/B4: 6.94345	Sterimol/L: 12.0678

Surface and Volume Properties
Accessible surface: 480.784	Positive charged surface: 210.653	Negative charged surface: 270.132	Volume: 251.625
Hydrophobic surface: 308.462	Hydrophilic surface: 172.322

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs01314904
ENAMINE-ZINC03223733