MMsINC Database Search


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

MMsINC code: MMs00864316

Type: Neutral
Formula: C₂₄H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1cc(Oc2ccccc2)ccc1

InChI:

InChI=1/C24H23FN2O2/c25-21-11-9-20(10-12-21)24(28)27-15-13-26(14-16-27)18-19-5-4-8-23(17-19)29-22-6-2-1-3-7-22/h1-12,17H,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.815 kcal/mol

Physical Properties
Molecular Weight: 390.458 g/mol	logS: -5.31734	SlogP: 4.8424	Reactive groups: 0

Topological Properties
Globularity: 0.0483045	Sterimol/B1: 2.98551	Sterimol/B2: 3.22132	Sterimol/B3: 4.6111
Sterimol/B4: 7.06678	Sterimol/L: 20.0542

Surface and Volume Properties
Accessible surface: 670.436	Positive charged surface: 408.286	Negative charged surface: 262.15	Volume: 377.375
Hydrophobic surface: 632.061	Hydrophilic surface: 38.375

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs00864317
CHEMDIV-ZINC01208609