MMsINC Database Search


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

MMsINC code: MMs00774765

Type: Neutral
Formula: C₁₅H₁₆FNO

SMILES:

Fc1ccccc1COc1ccccc1CNC

InChI:

InChI=1/C15H16FNO/c1-17-10-12-6-3-5-9-15(12)18-11-13-7-2-4-8-14(13)16/h2-9,17H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7844 kcal/mol

Physical Properties
Molecular Weight: 245.297 g/mol	logS: -3.23864	SlogP: 3.6569	Reactive groups: 0

Topological Properties
Globularity: 0.0340905	Sterimol/B1: 1.969	Sterimol/B2: 2.44696	Sterimol/B3: 3.2158
Sterimol/B4: 8.82501	Sterimol/L: 13.5555

Surface and Volume Properties
Accessible surface: 484.688	Positive charged surface: 303.295	Negative charged surface: 181.393	Volume: 248
Hydrophobic surface: 453.624	Hydrophilic surface: 31.064

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00774766
CHEMBRIDGE-ZINC04657474