MMsINC Database Search


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

MMsINC code: MMs01451345

Type: Neutral
Formula: C₁₇H₁₅F₂NO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2cccc(C)c2C)ccc1F

InChI:

InChI=1/C17H15F2NO3/c1-10-4-3-5-13(11(10)2)17(22)23-9-16(21)20-12-6-7-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6402 kcal/mol

Physical Properties
Molecular Weight: 319.307 g/mol	logS: -5.30084	SlogP: 3.37714	Reactive groups: 0

Topological Properties
Globularity: 0.0164758	Sterimol/B1: 2.70738	Sterimol/B2: 2.77977	Sterimol/B3: 3.82233
Sterimol/B4: 4.91777	Sterimol/L: 18.1576

Surface and Volume Properties
Accessible surface: 558.445	Positive charged surface: 305.051	Negative charged surface: 253.394	Volume: 284.125
Hydrophobic surface: 485.783	Hydrophilic surface: 72.662

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.