MMsINC Database Search


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

MMsINC code: MMs00653426

Type: Neutral
Formula: C₁₇H₁₄FNO₂

SMILES:

Fc1ccccc1CNC(=O)c1oc2c(cccc2)c1C

InChI:

InChI=1/C17H14FNO2/c1-11-13-7-3-5-9-15(13)21-16(11)17(20)19-10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1277 kcal/mol

Physical Properties
Molecular Weight: 283.302 g/mol	logS: -5.35261	SlogP: 4.07672	Reactive groups: 0

Topological Properties
Globularity: 0.0484053	Sterimol/B1: 2.06111	Sterimol/B2: 3.67342	Sterimol/B3: 3.681
Sterimol/B4: 7.5007	Sterimol/L: 16.0268

Surface and Volume Properties
Accessible surface: 520.461	Positive charged surface: 290.327	Negative charged surface: 224.207	Volume: 268.125
Hydrophobic surface: 470.053	Hydrophilic surface: 50.408

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.