MMsINC Database Search


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MMsINC code: MMs01299445

Type: Ionized
Formula: C₁₄H₈ClF₃NO₄S-

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(ccc2)C(F)(F)F)cc1C(=O)[O-]

InChI:

InChI=1/C14H9ClF3NO4S/c15-12-5-4-10(7-11(12)13(20)21)24(22,23)19-9-3-1-2-8(6-9)14(16,17)18/h1-7,19H,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.5219 kcal/mol

Physical Properties
Molecular Weight: 378.734 g/mol	logS: -5.06741	SlogP: 2.8346	Reactive groups: 0

Topological Properties
Globularity: 0.240621	Sterimol/B1: 3.67483	Sterimol/B2: 4.19366	Sterimol/B3: 4.57672
Sterimol/B4: 5.65122	Sterimol/L: 12.8061

Surface and Volume Properties
Accessible surface: 519.585	Positive charged surface: 148.471	Negative charged surface: 371.114	Volume: 279.75
Hydrophobic surface: 253.619	Hydrophilic surface: 265.966

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Parent related molecule:

MMs01299444
ENAMINE-ZINC03186064