Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1 |
MW: | 525.543 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 7.50882 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011585 |
Order Status | |
Shipped: | 2020-04-09 |
halogen_heteroatom
Halogen-bonded heteroatoms
high halogen content (>3)
P/S halide
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-39
0.773
ERI-UCB-fbdd3ea1-1
0.773
ERI-UCB-fbdd3ea1-2
0.773
LON-WEI-d1c9908a-10
0.770
LON-WEI-b8d98729-2
0.761
LON-WEI-d1c9908a-8
0.756
LON-WEI-b8d98729-45
0.736
LON-WEI-b8d98729-18
0.696
LON-WEI-b8d98729-42
0.681
LON-WEI-b8d98729-48
0.644
LON-WEI-b8d98729-7
0.632
NIM-NMI-8bb27a2b-22
0.620
LON-WEI-b8d98729-12
0.617
LON-WEI-b8d98729-28
0.612
LON-WEI-b8d98729-46
0.596
ERI-UCB-fbdd3ea1-3
0.594
LON-WEI-b8d98729-20
0.584
NIM-NMI-8bb27a2b-21
0.582
DAR-DIA-2b784ede-42
0.557
DAR-DIA-2b784ede-9
0.535
DAR-DIA-2b784ede-53
0.520
DAR-DIA-2b784ede-10
0.519
DAR-DIA-2b784ede-7
0.510
DAR-DIA-2b784ede-11
0.500
LON-WEI-adc59df6-80
0.500
DAR-DIA-2b784ede-16
0.491
DAR-DIA-2b784ede-48
0.491
LON-WEI-d1c9908a-6
0.486
LON-WEI-adc59df6-42
0.485
LON-WEI-adc59df6-30
0.484
DAR-DIA-2b784ede-45
0.482
LON-WEI-b8d98729-36
0.481
ERI-UCB-fbdd3ea1-4
0.479
RAL-MED-9a5eb9cb-12
0.479
LON-WEI-8f408cad-8
0.479
RAL-MED-9a5eb9cb-10
0.479
DAR-DIA-2b784ede-15
0.478
LON-WEI-d1c9908a-9
0.476
LON-WEI-adc59df6-16
0.476
LON-WEI-adc59df6-46
0.476
LON-WEI-adc59df6-41
0.475
LON-WEI-adc59df6-91
0.475
RAL-MED-9a5eb9cb-9
0.475
LON-WEI-adc59df6-3
0.473
LON-WEI-d1c9908a-13
0.472
LON-WEI-b8d98729-35
0.471
JAN-GHE-d851b096-4
0.471
LON-WEI-adc59df6-35
0.470
DAR-DIA-2b784ede-46
0.469
LON-WEI-b8d98729-17
0.468
LON-WEI-b8d98729-33
0.467
LON-WEI-adc59df6-9
0.467
LON-WEI-adc59df6-15
0.467
LON-WEI-d1c9908a-12
0.467
NIM-NMI-8bb27a2b-6
0.466
NIM-NMI-8bb27a2b-18
0.466
RAL-MED-9a5eb9cb-15
0.465
BRU-LEF-973da26b-1
0.465
NIM-NMI-8bb27a2b-16
0.465
LON-WEI-adc59df6-73
0.465
LON-WEI-adc59df6-31
0.465
DAR-DIA-2b784ede-18
0.464
LON-WEI-b8d98729-6
0.464
LON-WEI-b8d98729-37
0.463
LON-WEI-b8d98729-27
0.462
LON-WEI-d1c9908a-11
0.462
RIT-AID-af4ac3d4-1
0.462
LON-WEI-adc59df6-8
0.461
BRU-LEF-8bac3ce8-1
0.461
LON-WEI-adc59df6-44
0.459
LON-WEI-adc59df6-21
0.458
LON-WEI-d1c9908a-3
0.458
LON-WEI-d1c9908a-2
0.457
LON-WEI-adc59df6-5
0.457
LON-WEI-d1c9908a-7
0.456
NIM-NMI-8bb27a2b-15
0.456
LON-WEI-b8d98729-41
0.456
LON-WEI-b8d98729-24
0.456
LON-WEI-adc59df6-95
0.455
NIM-NMI-8bb27a2b-19
0.455
NIM-NMI-8bb27a2b-24
0.455
LON-WEI-d1c9908a-1
0.455
LON-WEI-d1c9908a-4
0.455
NIM-NMI-8bb27a2b-17
0.455
LON-WEI-b8d98729-40
0.454
LON-WEI-adc59df6-24
0.454
LON-WEI-adc59df6-12
0.453
LON-WEI-d1c9908a-5
0.453
LON-WEI-adc59df6-33
0.453
DAR-DIA-2b784ede-14
0.452
LON-WEI-b8d98729-47
0.452
LON-WEI-b8d98729-16
0.450
LON-WEI-adc59df6-29
0.450
LON-WEI-adc59df6-14
0.450
LON-WEI-adc59df6-82
0.450
LON-WEI-b8d98729-10
0.450
LON-WEI-b8d98729-8
0.450
LON-WEI-adc59df6-43
0.450
DAR-DIA-2b784ede-8
0.450
DAR-DIA-2b784ede-38
0.449