MMsINC Database Search


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MMsINC code: MMs01416554

Type: Neutral
Formula: C₁₈H₁₉FN₂O₅

SMILES:

Fc1ccc(NC(=O)COC(=O)CN2C(=O)C3C(CCCC3)C2=O)cc1

InChI:

InChI=1/C18H19FN2O5/c19-11-5-7-12(8-6-11)20-15(22)10-26-16(23)9-21-17(24)13-3-1-2-4-14(13)18(21)25/h5-8,13-14H,1-4,9-10H2,(H,20,22)/t13-,14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5882 kcal/mol

Physical Properties
Molecular Weight: 362.357 g/mol	logS: -3.98863	SlogP: 1.4826	Reactive groups: 1

Topological Properties
Globularity: 0.0348612	Sterimol/B1: 3.01387	Sterimol/B2: 3.48317	Sterimol/B3: 3.67006
Sterimol/B4: 4.74047	Sterimol/L: 20.0322

Surface and Volume Properties
Accessible surface: 615.041	Positive charged surface: 381.949	Negative charged surface: 233.092	Volume: 319.625
Hydrophobic surface: 464.941	Hydrophilic surface: 150.1

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.