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MMsINC code: MMs00511800

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)-c1cc(OC)c(OC)cc1

InChI:

InChI=1/C23H19FN2O2/c1-27-19-13-10-17(14-20(19)28-2)23-25-21(15-6-4-3-5-7-15)22(26-23)16-8-11-18(24)12-9-16/h3-14H,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.62 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -7.86086	SlogP: 5.567	Reactive groups: 0

Topological Properties
Globularity: 0.0313086	Sterimol/B1: 3.07205	Sterimol/B2: 3.19037	Sterimol/B3: 4.11969
Sterimol/B4: 7.73117	Sterimol/L: 17.0988

Surface and Volume Properties
Accessible surface: 653.018	Positive charged surface: 423.048	Negative charged surface: 229.97	Volume: 360.375
Hydrophobic surface: 615.046	Hydrophilic surface: 37.972

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.