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MMsINC code: MMs00932375

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₄S₂

SMILES:

Clc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N)cc2)cc1

InChI:

InChI=1/C14H15ClN2O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.54985 kcal/mol

Physical Properties
Molecular Weight: 374.869 g/mol	logS: -4.01313	SlogP: 1.50837	Reactive groups: 0

Topological Properties
Globularity: 0.0766206	Sterimol/B1: 3.14865	Sterimol/B2: 3.19337	Sterimol/B3: 4.23657
Sterimol/B4: 7.35942	Sterimol/L: 16.1486

Surface and Volume Properties
Accessible surface: 581.656	Positive charged surface: 255.41	Negative charged surface: 326.245	Volume: 303
Hydrophobic surface: 368.213	Hydrophilic surface: 213.443

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00932376
CHEMDIV-ZINC04194990