MMsINC Database Search


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MMsINC code: MMs01208698

Type: Neutral
Formula: C₁₉H₂₅FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)N1C(COC12CCCCC2)C(=O)NCCC

InChI:

InChI=1/C19H25FN2O3/c1-2-12-21-17(23)16-13-25-19(10-4-3-5-11-19)22(16)18(24)14-6-8-15(20)9-7-14/h6-9,16H,2-5,10-13H2,1H3,(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=276.982 kcal/mol

Physical Properties
Molecular Weight: 348.418 g/mol	logS: -4.24013	SlogP: 2.8533	Reactive groups: 0

Topological Properties
Globularity: 0.0966924	Sterimol/B1: 3.31968	Sterimol/B2: 4.13129	Sterimol/B3: 4.41109
Sterimol/B4: 6.99088	Sterimol/L: 15.2983

Surface and Volume Properties
Accessible surface: 544.343	Positive charged surface: 371.17	Negative charged surface: 173.173	Volume: 324.75
Hydrophobic surface: 484.059	Hydrophilic surface: 60.284

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