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MMsINC code: MMs01347934

Type: Neutral
Formula: C₁₄H₁₁ClFNO₄S

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6388 kcal/mol

Physical Properties
Molecular Weight: 343.762 g/mol	logS: -4.12097	SlogP: 3.0024	Reactive groups: 0

Topological Properties
Globularity: 0.0834202	Sterimol/B1: 2.22815	Sterimol/B2: 2.35315	Sterimol/B3: 4.71719
Sterimol/B4: 7.22427	Sterimol/L: 14.3083

Surface and Volume Properties
Accessible surface: 508.106	Positive charged surface: 239.512	Negative charged surface: 268.594	Volume: 273.75
Hydrophobic surface: 368.03	Hydrophilic surface: 140.076

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

MMs01347935
ENAMINE-ZINC03281079