MMsINC Database Search


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MMsINC code: MMs02847263

Type: Neutral
Formula: C₁₅H₁₉F₃N₂O

SMILES:

FC(F)(F)C(=O)NCCc1ccc(N2CCCCC2)cc1

InChI:

InChI=1/C15H19F3N2O/c16-15(17,18)14(21)19-9-8-12-4-6-13(7-5-12)20-10-2-1-3-11-20/h4-7H,1-3,8-11H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.652 kcal/mol

Physical Properties
Molecular Weight: 300.324 g/mol	logS: -3.35703	SlogP: 3.31777	Reactive groups: 0

Topological Properties
Globularity: 0.038318	Sterimol/B1: 2.39725	Sterimol/B2: 3.27825	Sterimol/B3: 3.6348
Sterimol/B4: 5.20284	Sterimol/L: 17.7722

Surface and Volume Properties
Accessible surface: 535.266	Positive charged surface: 314.377	Negative charged surface: 220.888	Volume: 272.375
Hydrophobic surface: 360.741	Hydrophilic surface: 174.525

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.