MMsINC Database Search


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

MMsINC code: MMs00354282

Type: Neutral
Formula: C₂₀H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C

InChI:

InChI=1/C20H18FNO4/c1-13-2-8-17(9-3-13)22-11-15(10-19(22)24)20(25)26-12-18(23)14-4-6-16(21)7-5-14/h2-9,15H,10-12H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7897 kcal/mol

Physical Properties
Molecular Weight: 355.365 g/mol	logS: -4.54454	SlogP: 2.91312	Reactive groups: 0

Topological Properties
Globularity: 0.0140646	Sterimol/B1: 2.60868	Sterimol/B2: 3.22511	Sterimol/B3: 3.38234
Sterimol/B4: 5.22982	Sterimol/L: 21.2548

Surface and Volume Properties
Accessible surface: 619.937	Positive charged surface: 343.946	Negative charged surface: 275.991	Volume: 329
Hydrophobic surface: 513.116	Hydrophilic surface: 106.821

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.