MMsINC Database Search


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MMsINC code: MMs01534688

Type: Ionized
Formula: C₁₄H₂₀F₃N₂+

SMILES:

FC(F)(F)CNC1CC[NH+](CC1)Cc1ccccc1

InChI:

InChI=1/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2034 kcal/mol

Physical Properties
Molecular Weight: 273.322 g/mol	logS: -2.63425	SlogP: 2.0721	Reactive groups: 0

Topological Properties
Globularity: 0.0967525	Sterimol/B1: 2.21251	Sterimol/B2: 3.48181	Sterimol/B3: 4.23998
Sterimol/B4: 5.92398	Sterimol/L: 15.1147

Surface and Volume Properties
Accessible surface: 503.172	Positive charged surface: 309.888	Negative charged surface: 193.283	Volume: 260.375
Hydrophobic surface: 363.779	Hydrophilic surface: 139.393

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

search links for this molecule:

Parent related molecule:

MMs01534686
ENAMINE-ZINC04207064