MMsINC Database Search


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MMsINC code: MMs03048018

Type: Neutral
Formula: C₁₄H₁₀F₃N

SMILES:

Fc1ccc(F)cc1C1Nc2c(C1)cccc2F

InChI:

InChI=1/C14H10F3N/c15-9-4-5-11(16)10(7-9)13-6-8-2-1-3-12(17)14(8)18-13/h1-5,7,13,18H,6H2/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.831 kcal/mol

Physical Properties
Molecular Weight: 249.235 g/mol	logS: -4.01805	SlogP: 3.90867	Reactive groups: 0

Topological Properties
Globularity: 0.0771748	Sterimol/B1: 2.42238	Sterimol/B2: 3.36247	Sterimol/B3: 3.7036
Sterimol/B4: 4.29625	Sterimol/L: 13.4644

Surface and Volume Properties
Accessible surface: 433.683	Positive charged surface: 210.461	Negative charged surface: 223.221	Volume: 216.875
Hydrophobic surface: 417.117	Hydrophilic surface: 16.566

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