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MMsINC code: MMs03505245

Type: Neutral
Formula: C₁₄H₁₅F₃N₂O₄

SMILES:

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

InChI:

InChI=1/C14H15F3N2O4/c1-8(12(21)22)18-11(20)10(19-13(23)14(15,16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,18,20)(H,19,23)(H,21,22)/t8-,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.216 kcal/mol

Physical Properties
Molecular Weight: 332.278 g/mol	logS: -3.17109	SlogP: 1.28537	Reactive groups: 0

Topological Properties
Globularity: 0.0827566	Sterimol/B1: 1.97387	Sterimol/B2: 4.54086	Sterimol/B3: 5.30085
Sterimol/B4: 5.9769	Sterimol/L: 14.9033

Surface and Volume Properties
Accessible surface: 528.57	Positive charged surface: 257.626	Negative charged surface: 270.943	Volume: 273
Hydrophobic surface: 256.395	Hydrophilic surface: 272.175

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs03505246
PUBCHEM-ZINC06032505