MMsINC Database Search


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

MMsINC code: MMs01937739

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1ccccc1-c1cc-2n(c1)CCc1cc(OC)c(OC)cc1-2

InChI:

InChI=1/C20H18FNO2/c1-23-19-10-13-7-8-22-12-14(15-5-3-4-6-17(15)21)9-18(22)16(13)11-20(19)24-2/h3-6,9-12H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0594 kcal/mol

Physical Properties
Molecular Weight: 323.367 g/mol	logS: -5.12328	SlogP: 4.80087	Reactive groups: 0

Topological Properties
Globularity: 0.0285505	Sterimol/B1: 2.80585	Sterimol/B2: 3.38356	Sterimol/B3: 4.70497
Sterimol/B4: 6.74418	Sterimol/L: 17.6996

Surface and Volume Properties
Accessible surface: 573.059	Positive charged surface: 396.377	Negative charged surface: 176.682	Volume: 311.25
Hydrophobic surface: 537.068	Hydrophilic surface: 35.991

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.