MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02872146

Type: Neutral
Formula: C₂₆H₂₂FNO₂

SMILES:

Fc1ccc(cc1)COc1ccccc1CNc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C26H22FNO2/c27-22-12-10-20(11-13-22)19-29-26-9-5-4-6-21(26)18-28-23-14-16-25(17-15-23)30-24-7-2-1-3-8-24/h1-17,28H,18-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.665 kcal/mol

Physical Properties
Molecular Weight: 399.465 g/mol	logS: -6.84521	SlogP: 7.3419	Reactive groups: 0

Topological Properties
Globularity: 0.053118	Sterimol/B1: 3.6469	Sterimol/B2: 3.88056	Sterimol/B3: 6.56813
Sterimol/B4: 7.84055	Sterimol/L: 17.3308

Surface and Volume Properties
Accessible surface: 721.008	Positive charged surface: 401.792	Negative charged surface: 319.216	Volume: 397
Hydrophobic surface: 701.206	Hydrophilic surface: 19.802

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.