MMsINC Database Search


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MMsINC code: MMs03818552

Type: Neutral
Formula: C₂₅H₂₂FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCOc1cc(ccc1C)C)cccc2

InChI:

InChI=1/C25H22FNO2/c1-17-11-12-18(2)24(15-17)29-14-13-27-16-21(19-7-4-6-10-23(19)27)25(28)20-8-3-5-9-22(20)26/h3-12,15-16H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.747 kcal/mol

Physical Properties
Molecular Weight: 387.454 g/mol	logS: -6.41569	SlogP: 5.97364	Reactive groups: 0

Topological Properties
Globularity: 0.167966	Sterimol/B1: 1.969	Sterimol/B2: 5.63853	Sterimol/B3: 7.59334
Sterimol/B4: 7.72705	Sterimol/L: 15.8247

Surface and Volume Properties
Accessible surface: 695.285	Positive charged surface: 387.216	Negative charged surface: 302.593	Volume: 381.125
Hydrophobic surface: 658.724	Hydrophilic surface: 36.561

Pharmacophoric Properties
Hydrogen bond donors: 0	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.