MMsINC Database Search


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MMsINC code: MMs00291089

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)-c1[nH]c(c(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1

InChI:

InChI=1/C23H19FN2O2/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)26-23(25-21)17-3-9-18(24)10-4-17/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)=100.032 kcal/mol

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

Topological Properties
Globularity: 0.0399701	Sterimol/B1: 2.19191	Sterimol/B2: 2.50826	Sterimol/B3: 3.9281
Sterimol/B4: 9.64006	Sterimol/L: 17.1072

Surface and Volume Properties
Accessible surface: 647.837	Positive charged surface: 417.52	Negative charged surface: 230.317	Volume: 358
Hydrophobic surface: 606.92	Hydrophilic surface: 40.917

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.