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MMsINC code: MMs01714041

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₃S

SMILES:

Clc1cccc(F)c1C(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H14ClFN2O3S/c16-12-2-1-3-13(17)14(12)15(20)19-9-8-10-4-6-11(7-5-10)23(18,21)22/h1-7H,8-9H2,(H,19,20)(H2,18,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.1217 kcal/mol

Physical Properties
Molecular Weight: 356.805 g/mol	logS: -4.61626	SlogP: 2.09897	Reactive groups: 0

Topological Properties
Globularity: 0.028622	Sterimol/B1: 2.68384	Sterimol/B2: 3.8687	Sterimol/B3: 4.10362
Sterimol/B4: 4.76976	Sterimol/L: 18.8566

Surface and Volume Properties
Accessible surface: 577.795	Positive charged surface: 265.492	Negative charged surface: 312.303	Volume: 293.5
Hydrophobic surface: 406.387	Hydrophilic surface: 171.408

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01714042
ENAMINE-ZINC06938060