MMsINC Database Search


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

MMsINC code: MMs01461559

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1cc(NC(=O)COC(=O)COc2ccc(OC)cc2)ccc1C

InChI:

InChI=1/C18H18FNO5/c1-12-3-4-13(9-16(12)19)20-17(21)10-25-18(22)11-24-15-7-5-14(23-2)6-8-15/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)=95.7035 kcal/mol

Physical Properties
Molecular Weight: 347.342 g/mol	logS: -4.34569	SlogP: 2.70342	Reactive groups: 1

Topological Properties
Globularity: 0.00917784	Sterimol/B1: 2.53507	Sterimol/B2: 2.67924	Sterimol/B3: 2.73628
Sterimol/B4: 6.25511	Sterimol/L: 21.5005

Surface and Volume Properties
Accessible surface: 633.163	Positive charged surface: 402.562	Negative charged surface: 230.601	Volume: 315.375
Hydrophobic surface: 523.147	Hydrophilic surface: 110.016

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.