Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 463.472 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.914 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011611 |
Order Status | |
Shipped: | 2020-04-09 |
halogen_heteroatom
Halogen-bonded heteroatoms
high halogen content (>3)
P/S halide
Long aliphatic chain
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-80
0.764
LON-WEI-8f408cad-8
0.761
RAL-MED-9a5eb9cb-12
0.753
ERI-UCB-fbdd3ea1-4
0.753
LON-WEI-b8d98729-6
0.730
LON-WEI-adc59df6-91
0.714
LON-WEI-d1c9908a-1
0.711
LON-WEI-adc59df6-82
0.701
LON-WEI-b8d98729-10
0.701
LON-WEI-adc59df6-95
0.684
LON-WEI-b8d98729-12
0.663
LON-WEI-adc59df6-78
0.659
LON-WEI-adc59df6-87
0.651
LON-WEI-b8d98729-32
0.646
LON-WEI-adc59df6-70
0.641
LON-WEI-adc59df6-73
0.637
LON-WEI-adc59df6-83
0.635
LON-WEI-b8d98729-29
0.632
JAN-GHE-d851b096-8
0.625
LON-WEI-adc59df6-79
0.622
LON-WEI-8f408cad-9
0.622
LON-WEI-b8d98729-28
0.618
LON-WEI-adc59df6-101
0.610
LON-WEI-adc59df6-84
0.607
LON-WEI-adc59df6-74
0.602
LON-WEI-b8d98729-31
0.598
LON-WEI-adc59df6-3
0.597
LON-WEI-adc59df6-103
0.595
LON-WEI-adc59df6-68
0.593
LON-WEI-adc59df6-81
0.588
LON-WEI-adc59df6-100
0.586
LON-WEI-adc59df6-104
0.586
LON-WEI-adc59df6-35
0.583
RAL-MED-9a5eb9cb-10
0.582
LON-WEI-adc59df6-85
0.581
LON-WEI-adc59df6-21
0.575
LON-WEI-adc59df6-65
0.568
LON-WEI-adc59df6-30
0.568
LON-WEI-adc59df6-102
0.565
RAL-MED-9a5eb9cb-15
0.558
LON-WEI-adc59df6-88
0.554
LON-WEI-adc59df6-44
0.554
ERI-UCB-fbdd3ea1-15
0.553
LON-WEI-adc59df6-8
0.552
LON-WEI-adc59df6-41
0.552
ERI-UCB-fbdd3ea1-11
0.548
LON-WEI-b8d98729-23
0.548
LON-WEI-adc59df6-42
0.547
LON-WEI-adc59df6-29
0.541
LON-WEI-adc59df6-31
0.541
LON-WEI-adc59df6-14
0.541
ERI-UCB-fbdd3ea1-17
0.540
ERI-UCB-fbdd3ea1-13
0.535
ERI-UCB-fbdd3ea1-16
0.534
RIT-AID-a497c99f-1
0.532
NIM-NMI-8bb27a2b-17
0.529
NIM-NMI-8bb27a2b-19
0.529
NIM-NMI-8bb27a2b-24
0.529
LON-WEI-adc59df6-26
0.529
LON-WEI-adc59df6-17
0.529
NIM-NMI-8bb27a2b-15
0.528
LON-WEI-adc59df6-60
0.524
LON-WEI-adc59df6-28
0.523
NIM-NMI-8bb27a2b-16
0.523
ERI-UCB-fbdd3ea1-12
0.523
NIM-NMI-8bb27a2b-23
0.522
RAL-MED-9a5eb9cb-9
0.517
LON-WEI-adc59df6-27
0.517
NIM-NMI-8bb27a2b-22
0.517
LON-WEI-adc59df6-46
0.516
LON-WEI-adc59df6-40
0.511
LON-WEI-d1c9908a-7
0.511
ERI-UCB-fbdd3ea1-30
0.511
LON-WEI-adc59df6-36
0.511
LON-WEI-adc59df6-10
0.511
LON-WEI-adc59df6-23
0.511
ERI-UCB-fbdd3ea1-19
0.506
NIM-NMI-8bb27a2b-18
0.505
LON-WEI-adc59df6-39
0.505
LON-WEI-adc59df6-15
0.505
LON-WEI-adc59df6-33
0.505
LON-WEI-adc59df6-18
0.500
BRU-LEF-8bac3ce8-1
0.500
RAL-MED-9a5eb9cb-11
0.500
LON-WEI-adc59df6-16
0.500
LON-WEI-adc59df6-20
0.500
ERI-UCB-fbdd3ea1-31
0.500
LON-WEI-d1c9908a-9
0.500
LON-WEI-b8d98729-27
0.500
RIT-AID-af4ac3d4-1
0.500
LON-WEI-adc59df6-1
0.500
LON-WEI-adc59df6-32
0.495
PAU-WEI-5b8d5051-1
0.495
LON-POS-586a7c45-1
0.495
LON-WEI-adc59df6-47
0.495
LON-WEI-adc59df6-2
0.495
LON-WEI-b8d98729-35
0.495
LON-WEI-adc59df6-5
0.495
LON-WEI-b8d98729-41
0.495
LON-WEI-adc59df6-53
0.494