MMsINC Database Search


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

MMsINC code: MMs01553083

Type: Neutral
Formula: C₂₁H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C1N(CCOC)C(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C21H20FNO4/c1-13-3-5-15(6-4-13)19(24)17-18(14-7-9-16(22)10-8-14)23(11-12-27-2)21(26)20(17)25/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8333 kcal/mol

Physical Properties
Molecular Weight: 369.392 g/mol	logS: -4.67248	SlogP: 2.82752	Reactive groups: 0

Topological Properties
Globularity: 0.158432	Sterimol/B1: 2.55434	Sterimol/B2: 3.14423	Sterimol/B3: 6.14176
Sterimol/B4: 7.33692	Sterimol/L: 15.7869

Surface and Volume Properties
Accessible surface: 588.672	Positive charged surface: 369.204	Negative charged surface: 219.468	Volume: 343.625
Hydrophobic surface: 491.124	Hydrophilic surface: 97.548

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.