MMsINC Database Search


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MMsINC code: MMs03511676

Type: Neutral
Formula: C₁₉H₈F₅N₃O₂

SMILES:

Fc1c(C(=O)Nc2cc(ccc2)-c2oc3cccnc3n2)c(F)c(F)c(F)c1F

InChI:

InChI=1/C19H8F5N3O2/c20-12-11(13(21)15(23)16(24)14(12)22)18(28)26-9-4-1-3-8(7-9)19-27-17-10(29-19)5-2-6-25-17/h1-7H,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.382 kcal/mol

Physical Properties
Molecular Weight: 405.282 g/mol	logS: -8.59692	SlogP: 4.8376	Reactive groups: 0

Topological Properties
Globularity: 0.0286657	Sterimol/B1: 2.55509	Sterimol/B2: 3.09248	Sterimol/B3: 3.82276
Sterimol/B4: 8.89377	Sterimol/L: 18.1321

Surface and Volume Properties
Accessible surface: 593.872	Positive charged surface: 276.523	Negative charged surface: 317.35	Volume: 309.875
Hydrophobic surface: 494.042	Hydrophilic surface: 99.83

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.