MMsINC Database Search


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

MMsINC code: MMs01615949

Type: Neutral
Formula: C₂₁H₂₆FNO₄

SMILES:

Fc1ccc(cc1)C(NC(=O)c1cc(OCC)c(OCC)c(OCC)c1)C

InChI:

InChI=1/C21H26FNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-8-10-17(22)11-9-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9043 kcal/mol

Physical Properties
Molecular Weight: 375.44 g/mol	logS: -5.05387	SlogP: 4.6083	Reactive groups: 0

Topological Properties
Globularity: 0.0571455	Sterimol/B1: 2.56829	Sterimol/B2: 3.61285	Sterimol/B3: 3.93312
Sterimol/B4: 10.3415	Sterimol/L: 16.9125

Surface and Volume Properties
Accessible surface: 694.09	Positive charged surface: 450.783	Negative charged surface: 243.307	Volume: 366.625
Hydrophobic surface: 558.988	Hydrophilic surface: 135.102

Pharmacophoric Properties
Hydrogen bond donors: 1	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.