MMsINC Database Search


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

MMsINC code: MMs01958785

Type: Neutral
Formula: C₂₅H₁₅FN₂O₂

SMILES:

Fc1ccccc1COc1cc2c3c4n(c2cc1)C(=O)c1c(-c4ncc3)cccc1

InChI:

InChI=1/C25H15FN2O2/c26-21-8-4-1-5-15(21)14-30-16-9-10-22-20(13-16)18-11-12-27-23-17-6-2-3-7-19(17)25(29)28(22)24(18)23/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.435 kcal/mol

Physical Properties
Molecular Weight: 394.405 g/mol	logS: -7.17548	SlogP: 5.8429	Reactive groups: 0

Topological Properties
Globularity: 0.00138009	Sterimol/B1: 2.36155	Sterimol/B2: 2.38854	Sterimol/B3: 4.59993
Sterimol/B4: 6.02448	Sterimol/L: 20.5164

Surface and Volume Properties
Accessible surface: 629.727	Positive charged surface: 326.609	Negative charged surface: 287.127	Volume: 359.75
Hydrophobic surface: 575.79	Hydrophilic surface: 53.937

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.