MMsINC Database Search


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MMsINC code: MMs01660519

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃

SMILES:

Fc1ccc(OCCOC(=O)c2ccc(-n3nc(cc3C)C)cc2)cc1

InChI:

InChI=1/C20H19FN2O3/c1-14-13-15(2)23(22-14)18-7-3-16(4-8-18)20(24)26-12-11-25-19-9-5-17(21)6-10-19/h3-10,13H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1337 kcal/mol

Physical Properties
Molecular Weight: 354.381 g/mol	logS: -4.687	SlogP: 3.86404	Reactive groups: 0

Topological Properties
Globularity: 0.0498078	Sterimol/B1: 2.41394	Sterimol/B2: 2.52937	Sterimol/B3: 5.23234
Sterimol/B4: 8.08428	Sterimol/L: 19.1181

Surface and Volume Properties
Accessible surface: 649.188	Positive charged surface: 374.592	Negative charged surface: 274.596	Volume: 336.125
Hydrophobic surface: 590.4	Hydrophilic surface: 58.788

Pharmacophoric Properties
Hydrogen bond donors: 0	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.