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MMsINC code: MMs01528118

Type: Neutral
Formula: C₂₀H₁₅ClFNO₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)N(Cc1ccccc1)c1ccc(F)cc1)C(O)=O

InChI:

InChI=1/C20H15ClFNO4S/c21-18-11-6-15(20(24)25)12-19(18)28(26,27)23(13-14-4-2-1-3-5-14)17-9-7-16(22)8-10-17/h1-12H,13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3651 kcal/mol

Physical Properties
Molecular Weight: 419.86 g/mol	logS: -5.88887	SlogP: 4.8392	Reactive groups: 0

Topological Properties
Globularity: 0.0931513	Sterimol/B1: 3.00714	Sterimol/B2: 3.13165	Sterimol/B3: 4.392
Sterimol/B4: 9.08126	Sterimol/L: 15.5521

Surface and Volume Properties
Accessible surface: 593.185	Positive charged surface: 293.424	Negative charged surface: 299.761	Volume: 351.125
Hydrophobic surface: 449.364	Hydrophilic surface: 143.821

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

MMs01528119
ENAMINE-ZINC03886802