MMsINC Database Search


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MMsINC code: MMs00566443

Type: Neutral
Formula: C₂₀H₂₆FNO₃

SMILES:

Fc1ccccc1C1N(CC(CCCC)CC)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C20H26FNO3/c1-4-6-9-14(5-2)12-22-18(15-10-7-8-11-16(15)21)17(13(3)23)19(24)20(22)25/h7-8,10-11,14,17-18H,4-6,9,12H2,1-3H3/t14-,17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7124 kcal/mol

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

Topological Properties
Globularity: 0.295834	Sterimol/B1: 3.59574	Sterimol/B2: 3.86508	Sterimol/B3: 6.59002
Sterimol/B4: 7.97654	Sterimol/L: 13.2241

Surface and Volume Properties
Accessible surface: 598.943	Positive charged surface: 359.761	Negative charged surface: 239.182	Volume: 345.75
Hydrophobic surface: 460.575	Hydrophilic surface: 138.368

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

MMs00566445 CHEMBLOCK-ZINC04626426	MMs00566447 CHEMBLOCK-ZINC04626426	MMs00566444 CHEMBLOCK-ZINC04626426
MMs00566446 CHEMBLOCK-ZINC04626426