MMsINC Database Search


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

MMsINC code: MMs01576735

Type: Neutral
Formula: C₂₃H₂₄FNO₅

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)N2CC(CCC2)C(OCC)=O)cc1

InChI:

InChI=1/C23H24FNO5/c1-2-29-23(28)18-4-3-13-25(14-18)21(26)15-30-20-11-7-17(8-12-20)22(27)16-5-9-19(24)10-6-16/h5-12,18H,2-4,13-15H2,1H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.222 kcal/mol

Physical Properties
Molecular Weight: 413.445 g/mol	logS: -4.91387	SlogP: 3.2372	Reactive groups: 0

Topological Properties
Globularity: 0.0219115	Sterimol/B1: 2.02131	Sterimol/B2: 2.91721	Sterimol/B3: 3.5033
Sterimol/B4: 8.12915	Sterimol/L: 22.5621

Surface and Volume Properties
Accessible surface: 706.484	Positive charged surface: 437.284	Negative charged surface: 269.201	Volume: 386.625
Hydrophobic surface: 574.787	Hydrophilic surface: 131.697

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.