MMsINC Database Search


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

MMsINC code: MMs00101341

Type: Neutral
Formula: C₁₅H₁₄FNO₃

SMILES:

Fc1ccccc1C(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C15H14FNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6325 kcal/mol

Physical Properties
Molecular Weight: 275.279 g/mol	logS: -3.75061	SlogP: 3.0952	Reactive groups: 0

Topological Properties
Globularity: 0.0190763	Sterimol/B1: 2.39051	Sterimol/B2: 2.53143	Sterimol/B3: 2.94086
Sterimol/B4: 8.65534	Sterimol/L: 14.8026

Surface and Volume Properties
Accessible surface: 506.581	Positive charged surface: 336.836	Negative charged surface: 169.744	Volume: 254.25
Hydrophobic surface: 460.755	Hydrophilic surface: 45.826

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.