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MMsINC code: MMs02868398

Type: Neutral
Formula: C₁₄H₁₃Cl₂N₃O₅S₂

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C14H13Cl2N3O5S2/c15-9-1-6-12(16)13(7-9)26(23,24)18-8-14(20)19-10-2-4-11(5-3-10)25(17,21)22/h1-7,18H,8H2,(H,19,20)(H2,17,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.1315 kcal/mol

Physical Properties
Molecular Weight: 438.312 g/mol	logS: -4.91448	SlogP: 1.5578	Reactive groups: 0

Topological Properties
Globularity: 0.0390798	Sterimol/B1: 2.81355	Sterimol/B2: 3.82791	Sterimol/B3: 4.40917
Sterimol/B4: 6.27035	Sterimol/L: 19.5177

Surface and Volume Properties
Accessible surface: 611.625	Positive charged surface: 246.061	Negative charged surface: 365.564	Volume: 325.125
Hydrophobic surface: 353.399	Hydrophilic surface: 258.226

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02868399
PUBCHEM-ZINC02065778