MMsINC Database Search


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MMsINC code: MMs01733754

Type: Neutral
Formula: C₁₅H₈F₃NO₂

SMILES:

FC(F)(F)c1ccccc1N1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C15H8F3NO2/c16-15(17,18)11-7-3-4-8-12(11)19-13(20)9-5-1-2-6-10(9)14(19)21/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8955 kcal/mol

Physical Properties
Molecular Weight: 291.228 g/mol	logS: -4.81514	SlogP: 3.8175	Reactive groups: 0

Topological Properties
Globularity: 0.128769	Sterimol/B1: 3.30549	Sterimol/B2: 4.0554	Sterimol/B3: 4.68973
Sterimol/B4: 4.71247	Sterimol/L: 13.7214

Surface and Volume Properties
Accessible surface: 453.394	Positive charged surface: 179.361	Negative charged surface: 274.033	Volume: 235.75
Hydrophobic surface: 313.787	Hydrophilic surface: 139.607

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.