MMsINC Database Search


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MMsINC code: MMs01746498

Type: Neutral
Formula: C₁₃H₁₁F₃N₂O

SMILES:

FC(F)(F)C(=O)N1CCc2[nH]c3c(c2C1)cccc3

InChI:

InChI=1/C13H11F3N2O/c14-13(15,16)12(19)18-6-5-11-9(7-18)8-3-1-2-4-10(8)17-11/h1-4,17H,5-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1572 kcal/mol

Physical Properties
Molecular Weight: 268.238 g/mol	logS: -3.1347	SlogP: 3.30117	Reactive groups: 0

Topological Properties
Globularity: 0.0528176	Sterimol/B1: 2.69341	Sterimol/B2: 2.79858	Sterimol/B3: 3.39447
Sterimol/B4: 5.54185	Sterimol/L: 13.7475

Surface and Volume Properties
Accessible surface: 435.714	Positive charged surface: 217.991	Negative charged surface: 211.88	Volume: 222.125
Hydrophobic surface: 271.582	Hydrophilic surface: 164.132

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.