MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03033239

Type: Neutral
Formula: C₁₄H₁₅F₃N₂O₃

SMILES:

FC(F)(F)C(=O)NC(C(=O)NC(Cc1ccccc1)C=O)C

InChI:

InChI=1/C14H15F3N2O3/c1-9(18-13(22)14(15,16)17)12(21)19-11(8-20)7-10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H,18,22)(H,19,21)/t9-,11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5898 kcal/mol

Physical Properties
Molecular Weight: 316.279 g/mol	logS: -3.2078	SlogP: 1.39967	Reactive groups: 1

Topological Properties
Globularity: 0.144578	Sterimol/B1: 2.1327	Sterimol/B2: 4.34637	Sterimol/B3: 5.31495
Sterimol/B4: 6.40198	Sterimol/L: 13.4953

Surface and Volume Properties
Accessible surface: 525.755	Positive charged surface: 247.779	Negative charged surface: 277.976	Volume: 268.5
Hydrophobic surface: 281.26	Hydrophilic surface: 244.495

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.