MMsINC Database Search


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

MMsINC code: MMs01482164

Type: Neutral
Formula: C₁₈H₁₆FNO₄

SMILES:

Fc1ccc(cc1)C(OC(C(=O)Nc1ccc(cc1)C(=O)C)C)=O

InChI:

InChI=1/C18H16FNO4/c1-11(21)13-5-9-16(10-6-13)20-17(22)12(2)24-18(23)14-3-7-15(19)8-4-14/h3-10,12H,1-2H3,(H,20,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5526 kcal/mol

Physical Properties
Molecular Weight: 329.327 g/mol	logS: -4.6975	SlogP: 3.2123	Reactive groups: 0

Topological Properties
Globularity: 0.037505	Sterimol/B1: 2.24669	Sterimol/B2: 2.26443	Sterimol/B3: 4.79353
Sterimol/B4: 7.04039	Sterimol/L: 18.4137

Surface and Volume Properties
Accessible surface: 588.304	Positive charged surface: 308.502	Negative charged surface: 279.802	Volume: 302.625
Hydrophobic surface: 458.585	Hydrophilic surface: 129.719

Pharmacophoric Properties
Hydrogen bond donors: 1	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.