MMsINC Database Search


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MMsINC code: MMs02011326

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O₃

SMILES:

FC(F)(F)Oc1ccc(NC(=O)C(=O)c2c3c(n(C)c2C)cccc3)cc1

InChI:

InChI=1/C19H15F3N2O3/c1-11-16(14-5-3-4-6-15(14)24(11)2)17(25)18(26)23-12-7-9-13(10-8-12)27-19(20,21)22/h3-10H,1-2H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.556 kcal/mol

Physical Properties
Molecular Weight: 376.334 g/mol	logS: -5.37285	SlogP: 4.98582	Reactive groups: 0

Topological Properties
Globularity: 0.0656038	Sterimol/B1: 2.07591	Sterimol/B2: 3.83094	Sterimol/B3: 4.13888
Sterimol/B4: 8.53121	Sterimol/L: 17.5565

Surface and Volume Properties
Accessible surface: 592.342	Positive charged surface: 282.399	Negative charged surface: 305.997	Volume: 321.75
Hydrophobic surface: 407.093	Hydrophilic surface: 185.249

Pharmacophoric Properties
Hydrogen bond donors: 1	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.