MMsINC Database Search


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MMsINC code: MMs02872063

Type: Neutral
Formula: C₂₄H₂₆FNO₂

SMILES:

Fc1ccc(cc1)COc1ccc(cc1OCC)CNc1ccccc1CC

InChI:

InChI=1/C24H26FNO2/c1-3-20-7-5-6-8-22(20)26-16-19-11-14-23(24(15-19)27-4-2)28-17-18-9-12-21(25)13-10-18/h5-15,26H,3-4,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.437 kcal/mol

Physical Properties
Molecular Weight: 379.475 g/mol	logS: -6.11578	SlogP: 6.51067	Reactive groups: 0

Topological Properties
Globularity: 0.10351	Sterimol/B1: 2.44537	Sterimol/B2: 4.3708	Sterimol/B3: 6.41976
Sterimol/B4: 6.769	Sterimol/L: 20.5758

Surface and Volume Properties
Accessible surface: 712.595	Positive charged surface: 442.037	Negative charged surface: 270.558	Volume: 388.75
Hydrophobic surface: 644.685	Hydrophilic surface: 67.91

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.