MMsINC Database Search


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

MMsINC code: MMs01711570

Type: Neutral
Formula: C₁₈H₁₄FNO₃

SMILES:

Fc1ccc(cc1)CC(OCC(=O)c1c2c([nH]c1)cccc2)=O

InChI:

InChI=1/C18H14FNO3/c19-13-7-5-12(6-8-13)9-18(22)23-11-17(21)15-10-20-16-4-2-1-3-14(15)16/h1-8,10,20H,9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4244 kcal/mol

Physical Properties
Molecular Weight: 311.312 g/mol	logS: -4.51221	SlogP: 3.27557	Reactive groups: 1

Topological Properties
Globularity: 0.0312519	Sterimol/B1: 2.46424	Sterimol/B2: 3.61939	Sterimol/B3: 3.61985
Sterimol/B4: 5.85987	Sterimol/L: 19.0853

Surface and Volume Properties
Accessible surface: 560.576	Positive charged surface: 300.691	Negative charged surface: 254.041	Volume: 286.125
Hydrophobic surface: 448.166	Hydrophilic surface: 112.41

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: no related molecules available.