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MMsINC code: MMs01714042

Type: Ionized
Formula: C₁₅H₁₃ClFN₂O₃S-

SMILES:

Clc1cccc(F)c1C(=O)NCCc1ccc(S(=O)([O-])=[NH])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,(H3,18,19,20,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0434 kcal/mol

Physical Properties
Molecular Weight: 355.797 g/mol	logS: -4.64065	SlogP: 2.42317	Reactive groups: 0

Topological Properties
Globularity: 0.0297968	Sterimol/B1: 3.10524	Sterimol/B2: 3.30705	Sterimol/B3: 3.88481
Sterimol/B4: 4.32927	Sterimol/L: 18.5009

Surface and Volume Properties
Accessible surface: 568.306	Positive charged surface: 241.879	Negative charged surface: 326.427	Volume: 294
Hydrophobic surface: 422.043	Hydrophilic surface: 146.263

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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:

MMs01714041
ENAMINE-ZINC06938060