MMsINC Database Search


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MMsINC code: MMs00381954

Type: Neutral
Formula: C₁₅H₂₀F₃NO

SMILES:

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

InChI:

InChI=1/C15H20F3NO/c1-3-4-5-6-11(2)19-14(20)12-7-9-13(10-8-12)15(16,17)18/h7-11H,3-6H2,1-2H3,(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0433 kcal/mol

Physical Properties
Molecular Weight: 287.325 g/mol	logS: -4.98941	SlogP: 4.7155	Reactive groups: 0

Topological Properties
Globularity: 0.0679792	Sterimol/B1: 2.39264	Sterimol/B2: 3.32422	Sterimol/B3: 3.33822
Sterimol/B4: 8.11338	Sterimol/L: 15.8177

Surface and Volume Properties
Accessible surface: 548.624	Positive charged surface: 303.396	Negative charged surface: 245.228	Volume: 273
Hydrophobic surface: 370.463	Hydrophilic surface: 178.161

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.