MMsINC Database Search


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MMsINC code: MMs01246341

Type: Neutral
Formula: C₁₇H₁₄F₃NO₃

SMILES:

FC(F)(F)c1ccccc1NC(=O)COC(=O)c1cc(ccc1)C

InChI:

InChI=1/C17H14F3NO3/c1-11-5-4-6-12(9-11)16(23)24-10-15(22)21-14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0989 kcal/mol

Physical Properties
Molecular Weight: 337.297 g/mol	logS: -5.29351	SlogP: 4.12082	Reactive groups: 0

Topological Properties
Globularity: 0.013452	Sterimol/B1: 2.68107	Sterimol/B2: 3.20185	Sterimol/B3: 3.49929
Sterimol/B4: 5.45435	Sterimol/L: 17.9514

Surface and Volume Properties
Accessible surface: 573.353	Positive charged surface: 275.131	Negative charged surface: 298.223	Volume: 289.375
Hydrophobic surface: 410.407	Hydrophilic surface: 162.946

Pharmacophoric Properties
Hydrogen bond donors: 1	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.