MMsINC Database Search


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

MMsINC code: MMs01956232

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)COc1cc(O)c(cc1)-c1ncncc1-c1ccccc1OC

InChI:

InChI=1/C24H19FN2O3/c1-29-23-5-3-2-4-19(23)21-13-26-15-27-24(21)20-11-10-18(12-22(20)28)30-14-16-6-8-17(25)9-7-16/h2-13,15,28H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.352 kcal/mol

Physical Properties
Molecular Weight: 402.425 g/mol	logS: -6.91099	SlogP: 5.5093	Reactive groups: 0

Topological Properties
Globularity: 0.132671	Sterimol/B1: 2.33198	Sterimol/B2: 4.6143	Sterimol/B3: 6.82143
Sterimol/B4: 7.00561	Sterimol/L: 17.711

Surface and Volume Properties
Accessible surface: 647.518	Positive charged surface: 413.951	Negative charged surface: 230.504	Volume: 374.5
Hydrophobic surface: 546.694	Hydrophilic surface: 100.824

Pharmacophoric Properties
Hydrogen bond donors: 1	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.