MMsINC Database Search


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MMsINC code: MMs01132906

Type: Neutral
Formula: C₂₆H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(n(c1C)-c1cc(OC)ccc1)-c1ccccc1

InChI:

InChI=1/C26H23FN2O2/c1-18-24(26(30)28-17-19-11-13-21(27)14-12-19)16-25(20-7-4-3-5-8-20)29(18)22-9-6-10-23(15-22)31-2/h3-16H,17H2,1-2H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.361 kcal/mol

Physical Properties
Molecular Weight: 414.48 g/mol	logS: -6.51393	SlogP: 5.79682	Reactive groups: 0

Topological Properties
Globularity: 0.0547478	Sterimol/B1: 2.12315	Sterimol/B2: 3.32504	Sterimol/B3: 4.64436
Sterimol/B4: 9.98783	Sterimol/L: 19.2799

Surface and Volume Properties
Accessible surface: 705.067	Positive charged surface: 418.265	Negative charged surface: 286.802	Volume: 404.875
Hydrophobic surface: 647.131	Hydrophilic surface: 57.936

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.