MMsINC Database Search


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

MMsINC code: MMs00238978

Type: Neutral
Formula: C₁₇H₁₅FN₂O₄

SMILES:

Fc1ccc(NC(=O)Cn2c3c(occ3)cc2C(OCC)=O)cc1

InChI:

InChI=1/C17H15FN2O4/c1-2-23-17(22)14-9-15-13(7-8-24-15)20(14)10-16(21)19-12-5-3-11(18)4-6-12/h3-9H,2,10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3056 kcal/mol

Physical Properties
Molecular Weight: 330.315 g/mol	logS: -4.28951	SlogP: 3.4552	Reactive groups: 0

Topological Properties
Globularity: 0.149627	Sterimol/B1: 2.50995	Sterimol/B2: 2.75959	Sterimol/B3: 5.03258
Sterimol/B4: 9.75655	Sterimol/L: 13.9713

Surface and Volume Properties
Accessible surface: 555.131	Positive charged surface: 307.982	Negative charged surface: 247.149	Volume: 296.5
Hydrophobic surface: 449.089	Hydrophilic surface: 106.042

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.