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MMsINC code: MMs01304487

Type: Ionized
Formula: C₁₃H₇Cl₂FNO₄S-

SMILES:

Clc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)[O-]

InChI:

InChI=1/C13H8Cl2FNO4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-8-3-1-7(16)2-4-8/h1-6,17H,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.2272 kcal/mol

Physical Properties
Molecular Weight: 363.172 g/mol	logS: -5.04013	SlogP: 2.2968	Reactive groups: 0

Topological Properties
Globularity: 0.378965	Sterimol/B1: 3.26531	Sterimol/B2: 4.5382	Sterimol/B3: 5.34279
Sterimol/B4: 5.71099	Sterimol/L: 11.3122

Surface and Volume Properties
Accessible surface: 492.908	Positive charged surface: 148.751	Negative charged surface: 344.157	Volume: 269.125
Hydrophobic surface: 333.63	Hydrophilic surface: 159.278

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs01304486
ENAMINE-ZINC03201446