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MMsINC code: MMs00566435

Type: Neutral
Formula: C₂₀H₂₆FNO₃

SMILES:

Fc1ccc(cc1)C1N(CC(CCCC)CC)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C20H26FNO3/c1-4-6-7-14(5-2)12-22-18(15-8-10-16(21)11-9-15)17(13(3)23)19(24)20(22)25/h8-11,14,17-18H,4-7,12H2,1-3H3/t14-,17+,18+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0223 kcal/mol

Physical Properties
Molecular Weight: 347.43 g/mol	logS: -5.08701	SlogP: 3.7952	Reactive groups: 0

Topological Properties
Globularity: 0.147237	Sterimol/B1: 3.14172	Sterimol/B2: 5.25761	Sterimol/B3: 5.62351
Sterimol/B4: 7.01683	Sterimol/L: 15.4987

Surface and Volume Properties
Accessible surface: 609.91	Positive charged surface: 364.66	Negative charged surface: 245.249	Volume: 344.75
Hydrophobic surface: 473.306	Hydrophilic surface: 136.604

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs00566436
CHEMBLOCK-ZINC04626424