MMsINC Database Search


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

MMsINC code: MMs01580748

Type: Neutral
Formula: C₁₈H₁₆FNO₄

SMILES:

Fc1ccc(cc1)C(OCC(=O)c1ccc(NC(=O)CC)cc1)=O

InChI:

InChI=1/C18H16FNO4/c1-2-17(22)20-15-9-5-12(6-10-15)16(21)11-24-18(23)13-3-7-14(19)8-4-13/h3-10H,2,11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3959 kcal/mol

Physical Properties
Molecular Weight: 329.327 g/mol	logS: -4.57206	SlogP: 3.2139	Reactive groups: 0

Topological Properties
Globularity: 0.00788045	Sterimol/B1: 2.4542	Sterimol/B2: 2.55096	Sterimol/B3: 3.15924
Sterimol/B4: 6.31533	Sterimol/L: 20.9021

Surface and Volume Properties
Accessible surface: 601.516	Positive charged surface: 339.241	Negative charged surface: 262.274	Volume: 301.75
Hydrophobic surface: 460.357	Hydrophilic surface: 141.159

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.