MMsINC Database Search


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MMsINC code: MMs01337352

Type: Neutral
Formula: C₁₈H₁₅F₃N₂O₄

SMILES:

FC(F)(F)c1cc(NC(=O)COC(=O)c2ccc(NC(=O)C)cc2)ccc1

InChI:

InChI=1/C18H15F3N2O4/c1-11(24)22-14-7-5-12(6-8-14)17(26)27-10-16(25)23-15-4-2-3-13(9-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.895 kcal/mol

Physical Properties
Molecular Weight: 380.322 g/mol	logS: -5.02904	SlogP: 3.7708	Reactive groups: 0

Topological Properties
Globularity: 0.0141728	Sterimol/B1: 2.519	Sterimol/B2: 3.12057	Sterimol/B3: 3.51058
Sterimol/B4: 6.95974	Sterimol/L: 20.6684

Surface and Volume Properties
Accessible surface: 626.61	Positive charged surface: 311.022	Negative charged surface: 315.587	Volume: 317.625
Hydrophobic surface: 388.432	Hydrophilic surface: 238.178

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.