Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 513.488 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 6.6466 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3720222642 |
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
BRU-LEF-973da26b-1
0.778
LON-WEI-b8d98729-27
0.762
LON-WEI-d1c9908a-7
0.759
LON-WEI-b8d98729-47
0.750
LON-WEI-d1c9908a-5
0.744
RIT-AID-af4ac3d4-1
0.741
LON-WEI-b8d98729-28
0.711
LON-WEI-b8d98729-7
0.663
LON-WEI-8f408cad-10
0.652
NIM-NMI-8bb27a2b-25
0.630
LON-WEI-b8d98729-25
0.629
RAL-MED-9a5eb9cb-6
0.622
LON-WEI-b8d98729-29
0.617
RAL-MED-9a5eb9cb-4
0.613
RAL-MED-9a5eb9cb-14
0.612
LON-WEI-adc59df6-41
0.611
BRU-LEF-e1854a6f-1
0.611
LON-WEI-b8d98729-22
0.602
LON-WEI-d1c9908a-11
0.591
LON-WEI-b8d98729-24
0.587
LON-WEI-d1c9908a-2
0.585
RAL-MED-9a5eb9cb-8
0.582
RAL-MED-9a5eb9cb-5
0.582
LON-WEI-adc59df6-12
0.579
RAL-MED-9a5eb9cb-9
0.578
LON-WEI-adc59df6-13
0.569
LON-WEI-b8d98729-35
0.568
LON-WEI-adc59df6-37
0.562
LON-WEI-b8d98729-33
0.562
RAL-MED-9a5eb9cb-3
0.554
JAN-GHE-d851b096-4
0.553
RAL-MED-9a5eb9cb-1
0.547
LON-WEI-b8d98729-37
0.540
LON-WEI-d1c9908a-3
0.535
LON-WEI-b8d98729-40
0.530
NIM-NMI-8bb27a2b-26
0.530
LON-WEI-d1c9908a-4
0.529
LON-WEI-adc59df6-46
0.526
LON-WEI-adc59df6-45
0.525
LON-WEI-b8d98729-8
0.525
RAL-MED-9a5eb9cb-10
0.517
LON-WEI-b8d98729-11
0.515
LON-WEI-b8d98729-14
0.515
LON-WEI-adc59df6-15
0.515
LON-WEI-adc59df6-24
0.515
LON-WEI-adc59df6-3
0.511
LON-WEI-adc59df6-18
0.510
LON-WEI-adc59df6-43
0.510
LON-WEI-adc59df6-80
0.505
LON-WEI-adc59df6-42
0.505
LON-WEI-adc59df6-5
0.505
LON-WEI-b8d98729-17
0.500
ERI-UCB-fbdd3ea1-4
0.500
LON-WEI-adc59df6-87
0.500
LON-WEI-adc59df6-11
0.500
LON-WEI-b8d98729-10
0.500
LON-WEI-8f408cad-8
0.500
RAL-MED-9a5eb9cb-12
0.500
LON-WEI-b8d98729-9
0.495
LON-WEI-adc59df6-4
0.495
NIM-NMI-8bb27a2b-22
0.495
RAL-MED-9a5eb9cb-7
0.494
LON-WEI-d1c9908a-6
0.490
LON-WEI-b8d98729-19
0.490
NIM-NMI-8bb27a2b-19
0.490
LON-WEI-adc59df6-35
0.490
LON-WEI-adc59df6-30
0.489
NIM-NMI-8bb27a2b-8
0.486
LON-WEI-b8d98729-44
0.486
RAL-MED-9a5eb9cb-15
0.485
LON-WEI-b8d98729-6
0.484
LON-WEI-adc59df6-8
0.480
BRU-LEF-8bac3ce8-1
0.480
LON-WEI-adc59df6-91
0.479
LON-WEI-adc59df6-44
0.479
LON-WEI-adc59df6-21
0.478
LON-WEI-b8d98729-26
0.476
LON-WEI-b8d98729-30
0.476
LON-WEI-b8d98729-41
0.475
NIM-NMI-8bb27a2b-15
0.475
LON-WEI-adc59df6-26
0.474
NIM-NMI-8bb27a2b-24
0.474
LON-WEI-adc59df6-95
0.474
NIM-NMI-8bb27a2b-17
0.474
LON-WEI-d1c9908a-1
0.474
LON-WEI-adc59df6-9
0.471
LON-WEI-adc59df6-33
0.471
LON-WEI-d1c9908a-12
0.471
LON-WEI-adc59df6-14
0.469
LON-WEI-adc59df6-82
0.469
LON-WEI-b8d98729-45
0.467
NIM-NMI-8bb27a2b-21
0.466
LON-WEI-adc59df6-16
0.466
LON-WEI-d1c9908a-9
0.466
LON-WEI-adc59df6-27
0.465
LON-WEI-adc59df6-38
0.464
LON-WEI-d1c9908a-13
0.462
ERI-UCB-fbdd3ea1-1
0.462
ERI-UCB-fbdd3ea1-2
0.462
LON-WEI-b8d98729-39
0.462