MMsINC Database Search


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

MMsINC code: MMs01552108

Type: Neutral
Formula: C₁₉H₁₉F₂NO₃

SMILES:

Fc1cc(F)ccc1C(NC(=O)COC(=O)c1ccc(cc1)CC)C

InChI:

InChI=1/C19H19F2NO3/c1-3-13-4-6-14(7-5-13)19(24)25-11-18(23)22-12(2)16-9-8-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4594 kcal/mol

Physical Properties
Molecular Weight: 347.361 g/mol	logS: -5.61339	SlogP: 3.65687	Reactive groups: 0

Topological Properties
Globularity: 0.0345722	Sterimol/B1: 2.06161	Sterimol/B2: 3.27425	Sterimol/B3: 5.00965
Sterimol/B4: 5.2309	Sterimol/L: 20.4038

Surface and Volume Properties
Accessible surface: 619.709	Positive charged surface: 344.753	Negative charged surface: 274.955	Volume: 322.875
Hydrophobic surface: 501.886	Hydrophilic surface: 117.823

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.