MMsINC Database Search


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

MMsINC code: MMs01342214

Type: Neutral
Formula: C₁₇H₁₅F₂NO₃

SMILES:

Fc1cc(F)ccc1C(OCC(=O)NC(C)c1ccccc1)=O

InChI:

InChI=1/C17H15F2NO3/c1-11(12-5-3-2-4-6-12)20-16(21)10-23-17(22)14-8-7-13(18)9-15(14)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.007 kcal/mol

Physical Properties
Molecular Weight: 319.307 g/mol	logS: -4.62425	SlogP: 3.0945	Reactive groups: 0

Topological Properties
Globularity: 0.0390011	Sterimol/B1: 2.19908	Sterimol/B2: 2.49106	Sterimol/B3: 5.24081
Sterimol/B4: 5.61961	Sterimol/L: 18.5134

Surface and Volume Properties
Accessible surface: 572.771	Positive charged surface: 304.14	Negative charged surface: 268.631	Volume: 286.125
Hydrophobic surface: 476.702	Hydrophilic surface: 96.069

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.