MMsINC Database Search


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MMsINC code: MMs01511559

Type: Neutral
Formula: C₁₄H₉ClF₃NO₃S

SMILES:

Clc1cc(F)c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1

InChI:

InChI=1/C14H9ClF3NO3S/c15-9-3-6-12(11(16)7-9)19-13(20)8-1-4-10(5-2-8)23(21,22)14(17)18/h1-7,14H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.255 kcal/mol

Physical Properties
Molecular Weight: 363.743 g/mol	logS: -4.6087	SlogP: 4.1476	Reactive groups: 0

Topological Properties
Globularity: 0.0328104	Sterimol/B1: 2.41848	Sterimol/B2: 3.36913	Sterimol/B3: 3.55098
Sterimol/B4: 5.61348	Sterimol/L: 17.7293

Surface and Volume Properties
Accessible surface: 525.878	Positive charged surface: 185.903	Negative charged surface: 339.975	Volume: 272.375
Hydrophobic surface: 359.263	Hydrophilic surface: 166.615

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.