MMsINC Database Search


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MMsINC code: MMs01208665

Type: Neutral
Formula: C₁₉H₂₅FN₂O₄

SMILES:

Fc1ccccc1C(=O)N1C(COC12CCCCC2)C(=O)NCCOC

InChI:

InChI=1/C19H25FN2O4/c1-25-12-11-21-17(23)16-13-26-19(9-5-2-6-10-19)22(16)18(24)14-7-3-4-8-15(14)20/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=219.929 kcal/mol

Physical Properties
Molecular Weight: 364.417 g/mol	logS: -3.85379	SlogP: 2.0897	Reactive groups: 0

Topological Properties
Globularity: 0.115926	Sterimol/B1: 2.91238	Sterimol/B2: 3.89502	Sterimol/B3: 4.71401
Sterimol/B4: 6.99781	Sterimol/L: 15.5752

Surface and Volume Properties
Accessible surface: 569.639	Positive charged surface: 433.372	Negative charged surface: 136.267	Volume: 334.375
Hydrophobic surface: 535.366	Hydrophilic surface: 34.273

Pharmacophoric Properties
Hydrogen bond donors: 1	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.