MMsINC Database Search


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

MMsINC code: MMs01580732

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O₄

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)COC(=O)c1ccc(F)cc1)CC

InChI:

InChI=1/C20H20F2N2O4/c1-2-24(12-18(25)23-11-14-3-7-16(21)8-4-14)19(26)13-28-20(27)15-5-9-17(22)10-6-15/h3-10H,2,11-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1327 kcal/mol

Physical Properties
Molecular Weight: 390.386 g/mol	logS: -4.69083	SlogP: 2.5529	Reactive groups: 0

Topological Properties
Globularity: 0.0269159	Sterimol/B1: 2.31068	Sterimol/B2: 2.4751	Sterimol/B3: 4.245
Sterimol/B4: 9.27206	Sterimol/L: 21.0152

Surface and Volume Properties
Accessible surface: 674.934	Positive charged surface: 374.096	Negative charged surface: 300.838	Volume: 355.5
Hydrophobic surface: 537.71	Hydrophilic surface: 137.224

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.