MMsINC Database Search


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

MMsINC code: MMs00120752

Type: Neutral
Formula: C₂₀H₁₈FNO₃

SMILES:

Fc1ccc(-n2c(ccc2CCC(O)=O)-c2ccc(OC)cc2)cc1

InChI:

InChI=1/C20H18FNO3/c1-25-18-10-2-14(3-11-18)19-12-8-17(9-13-20(23)24)22(19)16-6-4-15(21)5-7-16/h2-8,10-12H,9,13H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5919 kcal/mol

Physical Properties
Molecular Weight: 339.366 g/mol	logS: -4.35222	SlogP: 4.30917	Reactive groups: 0

Topological Properties
Globularity: 0.0752632	Sterimol/B1: 2.59113	Sterimol/B2: 4.71428	Sterimol/B3: 5.42047
Sterimol/B4: 6.12295	Sterimol/L: 16.8969

Surface and Volume Properties
Accessible surface: 575.51	Positive charged surface: 341.94	Negative charged surface: 233.57	Volume: 320.75
Hydrophobic surface: 462.369	Hydrophilic surface: 113.141

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00120753
ASINEX-ZINC00339399