MMsINC Database Search


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

MMsINC code: MMs00806145

Type: Neutral
Formula: C₁₆H₁₄FNO₂

SMILES:

Fc1ccc(NC(=O)C2OCCc3c2cccc3)cc1

InChI:

InChI=1/C16H14FNO2/c17-12-5-7-13(8-6-12)18-16(19)15-14-4-2-1-3-11(14)9-10-20-15/h1-8,15H,9-10H2,(H,18,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1877 kcal/mol

Physical Properties
Molecular Weight: 271.291 g/mol	logS: -3.97636	SlogP: 3.17367	Reactive groups: 0

Topological Properties
Globularity: 0.115694	Sterimol/B1: 3.03277	Sterimol/B2: 3.05984	Sterimol/B3: 4.4535
Sterimol/B4: 7.03871	Sterimol/L: 14.2781

Surface and Volume Properties
Accessible surface: 484.957	Positive charged surface: 288.46	Negative charged surface: 196.497	Volume: 251.5
Hydrophobic surface: 448.946	Hydrophilic surface: 36.011

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.