MMsINC Database Search


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MMsINC code: MMs02649100

Type: Neutral
Formula: C₁₅H₂₁F₃N₂

SMILES:

FC(F)(F)c1ccccc1CNC1CCN(CC1)CC

InChI:

InChI=1/C15H21F3N2/c1-2-20-9-7-13(8-10-20)19-11-12-5-3-4-6-14(12)15(16,17)18/h3-6,13,19H,2,7-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5841 kcal/mol

Physical Properties
Molecular Weight: 286.341 g/mol	logS: -2.95941	SlogP: 3.8572	Reactive groups: 0

Topological Properties
Globularity: 0.0485068	Sterimol/B1: 2.9453	Sterimol/B2: 3.39372	Sterimol/B3: 3.568
Sterimol/B4: 5.4584	Sterimol/L: 16.2482

Surface and Volume Properties
Accessible surface: 509.562	Positive charged surface: 325.7	Negative charged surface: 183.863	Volume: 270.25
Hydrophobic surface: 390.194	Hydrophilic surface: 119.368

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02649101
PUBCHEM-ZINC00277354