MMsINC Database Search


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

MMsINC code: MMs02797723

Type: Neutral
Formula: C₂₁H₂₀FNO₄

SMILES:

Fc1ccccc1C(=O)N1CCC(CC1)C(=O)c1cc2OCCOc2cc1

InChI:

InChI=1/C21H20FNO4/c22-17-4-2-1-3-16(17)21(25)23-9-7-14(8-10-23)20(24)15-5-6-18-19(13-15)27-12-11-26-18/h1-6,13-14H,7-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8951 kcal/mol

Physical Properties
Molecular Weight: 369.392 g/mol	logS: -4.37771	SlogP: 3.332	Reactive groups: 0

Topological Properties
Globularity: 0.0493288	Sterimol/B1: 2.51569	Sterimol/B2: 2.97982	Sterimol/B3: 4.78627
Sterimol/B4: 5.43978	Sterimol/L: 19.2406

Surface and Volume Properties
Accessible surface: 601.456	Positive charged surface: 385.141	Negative charged surface: 216.316	Volume: 337.375
Hydrophobic surface: 522.246	Hydrophilic surface: 79.21

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.