MMsINC Database Search


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MMsINC code: MMs03229079

Type: Neutral
Formula: C₁₅H₂₀F₃N₃O₄S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(=O)NCC(=O)NCC(F)(F)F

InChI:

InChI=1/C15H20F3N3O4S/c1-3-21(4-2)26(24,25)12-7-5-11(6-8-12)14(23)19-9-13(22)20-10-15(16,17)18/h5-8H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0868 kcal/mol

Physical Properties
Molecular Weight: 395.402 g/mol	logS: -3.35455	SlogP: 1.5453	Reactive groups: 0

Topological Properties
Globularity: 0.0347516	Sterimol/B1: 2.47453	Sterimol/B2: 2.5699	Sterimol/B3: 5.14554
Sterimol/B4: 6.94468	Sterimol/L: 19.8144

Surface and Volume Properties
Accessible surface: 621.035	Positive charged surface: 323.684	Negative charged surface: 297.351	Volume: 328.5
Hydrophobic surface: 323.915	Hydrophilic surface: 297.12

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.