MMsINC Database Search


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

MMsINC code: MMs01433805

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccc(cc2C)C)cc1

InChI:

InChI=1/C17H16FNO3/c1-11-3-8-15(12(2)9-11)17(21)22-10-16(20)19-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0865 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -5.00586	SlogP: 3.23804	Reactive groups: 0

Topological Properties
Globularity: 0.0134026	Sterimol/B1: 2.46365	Sterimol/B2: 2.53547	Sterimol/B3: 2.94602
Sterimol/B4: 6.41292	Sterimol/L: 17.9938

Surface and Volume Properties
Accessible surface: 556.341	Positive charged surface: 322.133	Negative charged surface: 234.208	Volume: 284.125
Hydrophobic surface: 484.168	Hydrophilic surface: 72.173

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.