MMsINC Database Search


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MMsINC code: MMs01212228

Type: Neutral
Formula: C₂₀H₂₄F₂N₂O₄

SMILES:

Fc1cc(cc(F)c1)C(=O)N1C(COC12CCCCC2)C(=O)N1CCOCC1

InChI:

InChI=1/C20H24F2N2O4/c21-15-10-14(11-16(22)12-15)18(25)24-17(19(26)23-6-8-27-9-7-23)13-28-20(24)4-2-1-3-5-20/h10-12,17H,1-9,13H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=318.791 kcal/mol

Physical Properties
Molecular Weight: 394.418 g/mol	logS: -4.19162	SlogP: 2.325	Reactive groups: 0

Topological Properties
Globularity: 0.130405	Sterimol/B1: 3.68421	Sterimol/B2: 3.72488	Sterimol/B3: 3.83886
Sterimol/B4: 7.91397	Sterimol/L: 13.797

Surface and Volume Properties
Accessible surface: 547.98	Positive charged surface: 382.949	Negative charged surface: 165.031	Volume: 340.5
Hydrophobic surface: 508.145	Hydrophilic surface: 39.835

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules: no related molecules available.