MMsINC Database Search


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MMsINC code: MMs02936545

Type: Neutral
Formula: C₂₀H₁₀F₅N₃O

SMILES:

Fc1c(C(=O)Nc2ccc(cc2)-c2[nH]c3c(n2)cccc3)c(F)c(F)c(F)c1F

InChI:

InChI=1/C20H10F5N3O/c21-14-13(15(22)17(24)18(25)16(14)23)20(29)26-10-7-5-9(6-8-10)19-27-11-3-1-2-4-12(11)28-19/h1-8H,(H,26,29)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4588 kcal/mol

Physical Properties
Molecular Weight: 403.31 g/mol	logS: -7.93513	SlogP: 5.1777	Reactive groups: 0

Topological Properties
Globularity: 0.0178696	Sterimol/B1: 3.13996	Sterimol/B2: 3.31306	Sterimol/B3: 3.67341
Sterimol/B4: 4.43657	Sterimol/L: 20.4707

Surface and Volume Properties
Accessible surface: 612.178	Positive charged surface: 269.172	Negative charged surface: 343.006	Volume: 321
Hydrophobic surface: 537.618	Hydrophilic surface: 74.56

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.