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MMsINC code: MMs01528043

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO₄S

SMILES:

Clc1ccccc1N(S(=O)(=O)c1cc(ccc1Cl)C(O)=O)Cc1ccccc1

InChI:

InChI=1/C20H15Cl2NO4S/c21-16-8-4-5-9-18(16)23(13-14-6-2-1-3-7-14)28(26,27)19-12-15(20(24)25)10-11-17(19)22/h1-12H,13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1427 kcal/mol

Physical Properties
Molecular Weight: 436.315 g/mol	logS: -6.32818	SlogP: 5.3535	Reactive groups: 0

Topological Properties
Globularity: 0.0786966	Sterimol/B1: 2.86277	Sterimol/B2: 3.31497	Sterimol/B3: 4.25859
Sterimol/B4: 9.23167	Sterimol/L: 15.1641

Surface and Volume Properties
Accessible surface: 585.186	Positive charged surface: 288.09	Negative charged surface: 297.096	Volume: 362.375
Hydrophobic surface: 447.001	Hydrophilic surface: 138.185

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01528044
ENAMINE-ZINC03886717