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MMsINC code: MMs00558388

Type: Neutral
Formula: C₁₆H₁₉FN₂O₄

SMILES:

Fc1cc(ccc1)C1N(CCNCCO)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C16H19FN2O4/c1-10(21)13-14(11-3-2-4-12(17)9-11)19(16(23)15(13)22)7-5-18-6-8-20/h2-4,9,13-14,18,20H,5-8H2,1H3/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9021 kcal/mol

Physical Properties
Molecular Weight: 322.336 g/mol	logS: -1.85978	SlogP: 0.1607	Reactive groups: 0

Topological Properties
Globularity: 0.163716	Sterimol/B1: 2.52586	Sterimol/B2: 2.57027	Sterimol/B3: 5.81368
Sterimol/B4: 9.00674	Sterimol/L: 14.2315

Surface and Volume Properties
Accessible surface: 571.471	Positive charged surface: 347.176	Negative charged surface: 224.295	Volume: 295.25
Hydrophobic surface: 395.33	Hydrophilic surface: 176.141

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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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