MMsINC Database Search


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

MMsINC code: MMs02102234

Type: Neutral
Formula: C₂₃H₂₁FN₂O₂

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)C1Oc2c(C1)c1c(cc2)cccc1

InChI:

InChI=1/C23H21FN2O2/c24-19-7-3-4-8-20(19)25-11-13-26(14-12-25)23(27)22-15-18-17-6-2-1-5-16(17)9-10-21(18)28-22/h1-10,22H,11-15H2/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.763 kcal/mol

Physical Properties
Molecular Weight: 376.431 g/mol	logS: -5.72916	SlogP: 3.63117	Reactive groups: 0

Topological Properties
Globularity: 0.0524082	Sterimol/B1: 3.06585	Sterimol/B2: 3.78797	Sterimol/B3: 4.36359
Sterimol/B4: 6.79745	Sterimol/L: 19.0033

Surface and Volume Properties
Accessible surface: 634.489	Positive charged surface: 373.058	Negative charged surface: 250.359	Volume: 355.375
Hydrophobic surface: 578.047	Hydrophilic surface: 56.442

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.