MMsINC Database Search


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MMsINC code: MMs03031512

Type: Neutral
Formula: C₁₄H₁₀F₃NO₄S

SMILES:

S(=O)(=O)(C(F)(F)F)c1ccc(Nc2ccccc2C(O)=O)cc1

InChI:

InChI=1/C14H10F3NO4S/c15-14(16,17)23(21,22)10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13(19)20/h1-8,18H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.058 kcal/mol

Physical Properties
Molecular Weight: 345.297 g/mol	logS: -4.25424	SlogP: 3.8418	Reactive groups: 0

Topological Properties
Globularity: 0.146204	Sterimol/B1: 2.99084	Sterimol/B2: 4.25671	Sterimol/B3: 4.87361
Sterimol/B4: 5.18096	Sterimol/L: 14.3501

Surface and Volume Properties
Accessible surface: 509.216	Positive charged surface: 213.372	Negative charged surface: 295.845	Volume: 263.5
Hydrophobic surface: 251.774	Hydrophilic surface: 257.442

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03031513
PUBCHEM-ZINC03641809