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MMsINC code: MMs01347935

Type: Ionized
Formula: C₁₄H₁₀ClFNO₄S-

SMILES:

Clc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1C(=O)[O-]

InChI:

InChI=1/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1648 kcal/mol

Physical Properties
Molecular Weight: 342.754 g/mol	logS: -4.38142	SlogP: 1.6677	Reactive groups: 0

Topological Properties
Globularity: 0.223767	Sterimol/B1: 2.45087	Sterimol/B2: 2.76943	Sterimol/B3: 5.38468
Sterimol/B4: 7.65471	Sterimol/L: 13.4858

Surface and Volume Properties
Accessible surface: 494.14	Positive charged surface: 201.352	Negative charged surface: 292.789	Volume: 274.25
Hydrophobic surface: 356.356	Hydrophilic surface: 137.784

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Parent related molecule:

MMs01347934
ENAMINE-ZINC03281079