MMsINC Database Search


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

MMsINC code: MMs01471265

Type: Neutral
Formula: C₁₉H₁₇FN₂O₄

SMILES:

Fc1cc(ccc1OC)CN1C(=O)C2(NC1=O)CCOc1c2cccc1

InChI:

InChI=1/C19H17FN2O4/c1-25-16-7-6-12(10-14(16)20)11-22-17(23)19(21-18(22)24)8-9-26-15-5-3-2-4-13(15)19/h2-7,10H,8-9,11H2,1H3,(H,21,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.1011 kcal/mol

Physical Properties
Molecular Weight: 356.353 g/mol	logS: -4.31664	SlogP: 3.142	Reactive groups: 0

Topological Properties
Globularity: 0.0849058	Sterimol/B1: 4.17316	Sterimol/B2: 4.24763	Sterimol/B3: 4.66867
Sterimol/B4: 5.3292	Sterimol/L: 17.3797

Surface and Volume Properties
Accessible surface: 570.398	Positive charged surface: 359.72	Negative charged surface: 210.678	Volume: 316.5
Hydrophobic surface: 472.424	Hydrophilic surface: 97.974

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.