Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cncc(C)c1 |
MW: | 464.22 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 4.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-547-974 |
Order Status | |
Ordered: | 2020-06-15 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
Long aliphatic chain
LON-WEI-babf2c61-11
0.833
LON-WEI-babf2c61-12
0.831
LON-WEI-babf2c61-14
0.779
LON-WEI-babf2c61-10
0.761
LON-WEI-babf2c61-2
0.691
LON-WEI-babf2c61-6
0.649
LON-WEI-babf2c61-1
0.573
LON-WEI-babf2c61-4
0.569
ALP-POS-95f71980-16
0.550
LON-WEI-babf2c61-8
0.543
LON-WEI-babf2c61-5
0.538
LON-WEI-babf2c61-3
0.537
ERI-UCB-fbdd3ea1-9
0.530
NIM-NMI-8bb27a2b-4
0.530
LON-WEI-adc59df6-47
0.529
PAU-WEI-5b8d5051-1
0.529
LON-POS-586a7c45-1
0.529
NIM-NMI-8bb27a2b-2
0.525
NIM-NMI-8bb27a2b-10
0.505
NIM-NMI-8bb27a2b-14
0.505
LON-WEI-babf2c61-7
0.505
NIM-NMI-8bb27a2b-11
0.500
LON-WEI-babf2c61-9
0.495
NIM-NMI-8bb27a2b-5
0.486
NIM-NMI-8bb27a2b-12
0.486
LON-WEI-b8d98729-23
0.485
ERI-UCB-fbdd3ea1-10
0.482
NIM-NMI-8bb27a2b-13
0.481
NIM-NMI-8bb27a2b-6
0.481
NIM-NMI-8bb27a2b-3
0.471
LON-WEI-b8d98729-15
0.468
ERI-UCB-fbdd3ea1-24
0.464
ERI-UCB-fbdd3ea1-26
0.464
PET-UNK-48ab5cd7-4
0.460
ERI-UCB-fbdd3ea1-7
0.457
ALP-POS-305f6ec3-44
0.451
LON-WEI-b8d98729-46
0.450
ALP-POS-95f71980-21
0.450
LON-WEI-2e27a2e5-2
0.450
ERI-UCB-fbdd3ea1-6
0.449
DAR-DIA-2b784ede-54
0.446
NIM-NMI-8bb27a2b-8
0.442
ERI-UCB-fbdd3ea1-5
0.440
NIM-NMI-8bb27a2b-1
0.440
ALP-POS-95f71980-14
0.440
MAT-POS-f2460aef-2
0.438
MAT-POS-f2460aef-1
0.438
LON-WEI-2e27a2e5-1
0.438
NIM-NMI-8bb27a2b-7
0.438
ALP-POS-95f71980-25
0.435
MIC-UNK-96659df2-7
0.433
ALP-POS-02c6a514-11
0.432
PAU-WEI-5b8d5051-2
0.432
ALP-POS-95f71980-4
0.430
NIM-NMI-8bb27a2b-9
0.430
ERI-UCB-fbdd3ea1-8
0.429
MIC-UNK-96659df2-8
0.427
ALP-POS-02c6a514-26
0.425
MIC-UNK-96659df2-6
0.424
ERI-UCB-fbdd3ea1-29
0.423
MAT-POS-f2460aef-5
0.422
ALP-POS-02c6a514-20
0.422
ALP-POS-b0bc6a46-12
0.422
PET-UNK-48ab5cd7-1
0.422
ERI-UCB-fbdd3ea1-28
0.422
DAR-DIA-2b784ede-31
0.422
PET-UNK-7d68125a-3
0.421
PET-UNK-7d68125a-2
0.421
LON-WEI-b8d98729-43
0.421
ALP-POS-d0876c20-17
0.421
DAR-DIA-48c639f7-11
0.419
DAR-DIA-48c639f7-15
0.419
ALP-POS-95f71980-41
0.418
ERI-UCB-fbdd3ea1-25
0.417
ALP-POS-02c6a514-12
0.417
ALP-POS-305f6ec3-49
0.417
ALP-POS-95f71980-20
0.417
PET-UNK-7d68125a-4
0.412
ALP-POS-b0bc6a46-25
0.412
ALP-POS-02c6a514-41
0.412
PET-UNK-48ab5cd7-6
0.412
KHR-WEI-75c61062-2
0.411
ALP-POS-02c6a514-6
0.410
ALP-POS-02c6a514-25
0.410
ALP-POS-02c6a514-49
0.410
ALP-POS-02c6a514-50
0.410
ALP-UNI-c3ef0aba-3
0.410
ALP-POS-95f71980-24
0.410
MAT-POS-f2460aef-4
0.410
ALP-POS-305f6ec3-6
0.410
ALP-POS-305f6ec3-14
0.410
ALP-POS-95f71980-12
0.410
ALP-POS-95f71980-17
0.409
MAT-POS-c0143b99-1
0.409
ALP-POS-95f71980-2
0.409
DAR-DIA-48c639f7-12
0.408
DAR-DIA-48c639f7-16
0.408
ALP-POS-95f71980-18
0.408
KHR-WEI-75c61062-1
0.407
ALF-EVA-719172df-6
0.407