MMsINC Database Search


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

MMsINC code: MMs01417462

Type: Neutral
Formula: C₁₇H₁₅F₂NO₃

SMILES:

Fc1cccc(F)c1C(OC(C(=O)Nc1ccc(cc1)C)C)=O

InChI:

InChI=1/C17H15F2NO3/c1-10-6-8-12(9-7-10)20-16(21)11(2)23-17(22)15-13(18)4-3-5-14(15)19/h3-9,11H,1-2H3,(H,20,21)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2158 kcal/mol

Physical Properties
Molecular Weight: 319.307 g/mol	logS: -5.15413	SlogP: 3.45722	Reactive groups: 0

Topological Properties
Globularity: 0.030534	Sterimol/B1: 2.7459	Sterimol/B2: 3.05282	Sterimol/B3: 3.83997
Sterimol/B4: 6.43993	Sterimol/L: 17.4234

Surface and Volume Properties
Accessible surface: 570.315	Positive charged surface: 296.795	Negative charged surface: 273.521	Volume: 285
Hydrophobic surface: 483.165	Hydrophilic surface: 87.15

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.