MMsINC Database Search


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

MMsINC code: MMs01463864

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1cc(NC(=O)COC(=O)COc2cc(ccc2)C)ccc1C

InChI:

InChI=1/C18H18FNO4/c1-12-4-3-5-15(8-12)23-11-18(22)24-10-17(21)20-14-7-6-13(2)16(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5462 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -4.76923	SlogP: 3.00324	Reactive groups: 1

Topological Properties
Globularity: 0.00908027	Sterimol/B1: 2.6319	Sterimol/B2: 2.78372	Sterimol/B3: 3.15367
Sterimol/B4: 5.31972	Sterimol/L: 21.3956

Surface and Volume Properties
Accessible surface: 620.597	Positive charged surface: 368.291	Negative charged surface: 252.306	Volume: 308
Hydrophobic surface: 521.61	Hydrophilic surface: 98.987

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.