MMsINC Database Search


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

MMsINC code: MMs00566431

Type: Neutral
Formula: C₂₀H₂₆FNO₃

SMILES:

Fc1ccc(cc1)C1N(CC(CCCC)CC)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C20H26FNO3/c1-4-6-7-14(5-2)12-22-18(15-8-10-16(21)11-9-15)17(13(3)23)19(24)20(22)25/h8-11,14,17-18H,4-7,12H2,1-3H3/t14-,17+,18+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.8843 kcal/mol

Physical Properties
Molecular Weight: 347.43 g/mol	logS: -5.08701	SlogP: 3.7952	Reactive groups: 0

Topological Properties
Globularity: 0.191715	Sterimol/B1: 3.80146	Sterimol/B2: 5.5942	Sterimol/B3: 5.75462
Sterimol/B4: 5.78906	Sterimol/L: 15.3881

Surface and Volume Properties
Accessible surface: 616.427	Positive charged surface: 366.218	Negative charged surface: 250.209	Volume: 347.5
Hydrophobic surface: 473.586	Hydrophilic surface: 142.841

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs00566433
CHEMBLOCK-ZINC04626422