MMsINC Database Search


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

MMsINC code: MMs00192939

Type: Neutral
Formula: C₂₄H₂₁FN₂O₂

SMILES:

Fc1ccc(N2CCN(CC2)C(=O)C2c3c(Oc4c2cccc4)cccc3)cc1

InChI:

InChI=1/C24H21FN2O2/c25-17-9-11-18(12-10-17)26-13-15-27(16-14-26)24(28)23-19-5-1-3-7-21(19)29-22-8-4-2-6-20(22)23/h1-12,23H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.23 kcal/mol

Physical Properties
Molecular Weight: 388.442 g/mol	logS: -5.84347	SlogP: 4.4121	Reactive groups: 0

Topological Properties
Globularity: 0.0822185	Sterimol/B1: 2.44516	Sterimol/B2: 3.19983	Sterimol/B3: 4.63914
Sterimol/B4: 9.57132	Sterimol/L: 17.0609

Surface and Volume Properties
Accessible surface: 622.003	Positive charged surface: 357.589	Negative charged surface: 264.414	Volume: 367.25
Hydrophobic surface: 587.439	Hydrophilic surface: 34.564

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.