MMsINC Database Search


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MMsINC code: MMs01423922

Type: Neutral
Formula: C₁₅H₁₄F₃NO

SMILES:

FC(F)(F)c1cc(ccc1)Cc1c[nH]c(C)c1C(=O)C

InChI:

InChI=1/C15H14F3NO/c1-9-14(10(2)20)12(8-19-9)6-11-4-3-5-13(7-11)15(16,17)18/h3-5,7-8,19H,6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4254 kcal/mol

Physical Properties
Molecular Weight: 281.277 g/mol	logS: -3.31324	SlogP: 4.44679	Reactive groups: 0

Topological Properties
Globularity: 0.186392	Sterimol/B1: 2.26823	Sterimol/B2: 4.44251	Sterimol/B3: 4.79065
Sterimol/B4: 5.31634	Sterimol/L: 12.3248

Surface and Volume Properties
Accessible surface: 474.416	Positive charged surface: 236.672	Negative charged surface: 237.744	Volume: 251.25
Hydrophobic surface: 310.864	Hydrophilic surface: 163.552

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.