MMsINC Database Search


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

MMsINC code: MMs01009929

Type: Neutral
Formula: C₂₃H₂₄FNO₃

SMILES:

Fc1ccc(cc1)CN(Cc1occc1)C(=O)COc1c(cc(cc1C)C)C

InChI:

InChI=1/C23H24FNO3/c1-16-11-17(2)23(18(3)12-16)28-15-22(26)25(14-21-5-4-10-27-21)13-19-6-8-20(24)9-7-19/h4-12H,13-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.087 kcal/mol

Physical Properties
Molecular Weight: 381.447 g/mol	logS: -5.87905	SlogP: 5.48456	Reactive groups: 0

Topological Properties
Globularity: 0.0859618	Sterimol/B1: 2.4974	Sterimol/B2: 4.70558	Sterimol/B3: 4.77884
Sterimol/B4: 8.23387	Sterimol/L: 16.437

Surface and Volume Properties
Accessible surface: 654.117	Positive charged surface: 362.972	Negative charged surface: 291.146	Volume: 377.75
Hydrophobic surface: 613.793	Hydrophilic surface: 40.324

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.