MMsINC Database Search


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

MMsINC code: MMs01657709

Type: Neutral
Formula: C₁₉H₂₀FNO₆

SMILES:

Fc1cc(OC)ccc1C(OCC(=O)c1c(C(OCC)=O)c([nH]c1C)C)=O

InChI:

InChI=1/C19H20FNO6/c1-5-26-19(24)17-11(3)21-10(2)16(17)15(22)9-27-18(23)13-7-6-12(25-4)8-14(13)20/h6-8,21H,5,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0951 kcal/mol

Physical Properties
Molecular Weight: 377.368 g/mol	logS: -3.99016	SlogP: 2.99564	Reactive groups: 0

Topological Properties
Globularity: 0.0484182	Sterimol/B1: 2.49233	Sterimol/B2: 3.26427	Sterimol/B3: 4.40044
Sterimol/B4: 10.4552	Sterimol/L: 19.2947

Surface and Volume Properties
Accessible surface: 662.996	Positive charged surface: 408.243	Negative charged surface: 254.753	Volume: 344.75
Hydrophobic surface: 501.637	Hydrophilic surface: 161.359

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.