MMsINC Database Search


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

MMsINC code: MMs02753085

Type: Neutral
Formula: C₂₅H₂₂FNO₄

SMILES:

Fc1ccccc1-c1nc(cc2c1cc(OC)c(OC)c2)-c1cc(OC)c(OC)cc1

InChI:

InChI=1/C25H22FNO4/c1-28-21-10-9-15(12-22(21)29-2)20-11-16-13-23(30-3)24(31-4)14-18(16)25(27-20)17-7-5-6-8-19(17)26/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.819 kcal/mol

Physical Properties
Molecular Weight: 419.452 g/mol	logS: -7.29148	SlogP: 5.7423	Reactive groups: 0

Topological Properties
Globularity: 0.0262987	Sterimol/B1: 3.16715	Sterimol/B2: 3.35427	Sterimol/B3: 5.76778
Sterimol/B4: 8.72981	Sterimol/L: 18.2249

Surface and Volume Properties
Accessible surface: 695.648	Positive charged surface: 490.925	Negative charged surface: 186.302	Volume: 394.125
Hydrophobic surface: 647.005	Hydrophilic surface: 48.643

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.