MMsINC Database Search


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MMsINC code: MMs03028332

Type: Neutral
Formula: C₁₅H₂₀F₃NO

SMILES:

FC(F)(F)c1ccc(NC(=O)C(CCC)CCC)cc1

InChI:

InChI=1/C15H20F3NO/c1-3-5-11(6-4-2)14(20)19-13-9-7-12(8-10-13)15(16,17)18/h7-11H,3-6H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3833 kcal/mol

Physical Properties
Molecular Weight: 287.325 g/mol	logS: -5.1153	SlogP: 5.1718	Reactive groups: 0

Topological Properties
Globularity: 0.0801274	Sterimol/B1: 2.23124	Sterimol/B2: 2.99318	Sterimol/B3: 4.28664
Sterimol/B4: 8.98833	Sterimol/L: 14.755

Surface and Volume Properties
Accessible surface: 537.925	Positive charged surface: 301.811	Negative charged surface: 236.114	Volume: 271
Hydrophobic surface: 363.631	Hydrophilic surface: 174.294

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.