MMsINC Database Search


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MMsINC code: MMs00054882

Type: Neutral
Formula: C₁₃H₁₀F₃N

SMILES:

FC(F)(F)c1ccc(cc1)-c1cc(N)ccc1

InChI:

InChI=1/C13H10F3N/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h1-8H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9667 kcal/mol

Physical Properties
Molecular Weight: 237.224 g/mol	logS: -4.58869	SlogP: 4.2661	Reactive groups: 0

Topological Properties
Globularity: 0.00928451	Sterimol/B1: 2.15657	Sterimol/B2: 2.47416	Sterimol/B3: 2.81462
Sterimol/B4: 5.70527	Sterimol/L: 13.1235

Surface and Volume Properties
Accessible surface: 423.341	Positive charged surface: 169.9	Negative charged surface: 242.37	Volume: 206.75
Hydrophobic surface: 258.851	Hydrophilic surface: 164.49

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.