Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Nc3ccc(C#N)cn3)cc2)CC1 |
MW: | 473.558 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 106.4 |
cLogP: | 3.38278 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-878 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Hetero_hetero
JAN-GHE-bf40f168-4
0.764
JAN-GHE-bf40f168-6
0.681
JAN-GHE-bf40f168-5
0.646
JAN-GHE-bf40f168-1
0.420
PEI-IMP-668afc53-1
0.394
SAD-SAT-2ceae68f-4
0.382
PEI-IMP-ca0b2813-4
0.370
MAK-UNK-30aad1f1-12
0.350
PEI-IMP-3d837503-2
0.341
SAD-SAT-bc31ec01-10
0.330
JAN-GHE-4287bd1a-1
0.330
MAK-UNK-30aad1f1-17
0.327
SAD-SAT-b55127ae-5
0.326
JAN-GHE-bf40f168-3
0.325
MAK-UNK-c74072e5-4
0.324
SAD-SAT-2ceae68f-7
0.321
JAG-SYN-9c2cd0bd-1
0.315
MAK-UNK-10dfa458-4
0.315
BEN-DND-03ad4429-7
0.315
JAN-GHE-bf40f168-8
0.312
BEN-DND-03ad4429-3
0.309
MAK-UNK-10dfa458-5
0.309
MAK-UNK-30aad1f1-16
0.308
MAR-TRE-6a44bbf2-7
0.306
AAR-POS-d2a4d1df-37
0.306
MAK-UNK-10dfa458-18
0.304
SAD-SAT-b55127ae-2
0.294
SAD-SAT-3a925b8b-10
0.293
MAK-UNK-10dfa458-6
0.290
MAT-POS-2db6411e-1
0.290
MAK-UNK-30aad1f1-8
0.287
JAN-GHE-bf40f168-7
0.286
BEN-VAN-77cef4f8-11
0.281
SAD-SAT-f2e2579e-4
0.279
MAK-UNK-30aad1f1-2
0.278
MAK-UNK-30aad1f1-14
0.278
MAK-UNK-752736de-11
0.277
MAK-UNK-30aad1f1-15
0.273
MAK-UNK-30aad1f1-9
0.273
AHN-SAT-02ef6d10-5
0.273
BEN-VAN-77cef4f8-10
0.271
MAK-UNK-148caf23-14
0.269
BEN-VAN-77cef4f8-12
0.269
SAD-SAT-b55127ae-3
0.269
DRR-IMP-dff87f5e-9
0.265
SAD-SAT-2ceae68f-5
0.263
MAK-UNK-148caf23-19
0.262
SAD-SAT-2ceae68f-2
0.260
MAK-UNK-30aad1f1-7
0.259
MAT-POS-590ac91e-61
0.258
MAK-UNK-7c9d1431-12
0.258
ABI-SAT-ddc50085-1
0.256
MAK-UNK-148caf23-17
0.256
AHN-SAT-02ef6d10-7
0.256
MAK-UNK-10dfa458-8
0.255
MAK-UNK-30aad1f1-3
0.255
MAK-UNK-148caf23-12
0.254
AAR-POS-d2a4d1df-5
0.253
MAR-TRE-6a44bbf2-8
0.253
DRR-IMP-dff87f5e-5
0.253
AAR-POS-d2a4d1df-34
0.253
MAK-UNK-752736de-7
0.252
AHN-SAT-b1e6fbb2-1
0.252
MAK-UNK-148caf23-9
0.252
MAK-UNK-148caf23-11
0.250
MAK-UNK-af83ef51-23
0.250
MAK-UNK-af83ef51-24
0.250
DRV-UNK-dd7f8c68-2
0.248
DRV-UNK-64047f27-2
0.248
SAD-SAT-f2e2579e-6
0.248
JAN-GHE-c863d918-1
0.248
PET-SGC-cb62ec31-1
0.248
MAK-UNK-148caf23-18
0.246
MAK-UNK-148caf23-13
0.246
MAK-UNK-148caf23-15
0.246
MAT-POS-590ac91e-62
0.246
DAV-IMP-59dd6621-23
0.245
MAK-UNK-6ca90168-12
0.245
MAK-UNK-148caf23-16
0.244
MAK-UNK-af83ef51-32
0.244
MAR-TRE-3159af1a-61
0.243
SAD-SAT-f2e2579e-10
0.243
MAR-TRE-3159af1a-32
0.242
MAT-POS-590ac91e-60
0.242
MAK-UNK-30aad1f1-4
0.241
MAR-TRE-3159af1a-65
0.241
MAK-UNK-148caf23-8
0.241
MAK-UNK-148caf23-10
0.241
MAK-UNK-af83ef51-26
0.240
MAR-TRE-2fd8122f-86
0.240
MAK-UNK-30aad1f1-1
0.239
WAR-XCH-72a8c209-1
0.239
MAK-UNK-10dfa458-16
0.239
BEN-DND-03406596-9
0.238
BEN-DND-76ad4ac9-11
0.238
MAR-TRE-3159af1a-45
0.238
SAD-SAT-b55127ae-9
0.237
MAK-UNK-10dfa458-13
0.236
MAK-UNK-6ca90168-2
0.235
MAR-TRE-66ac689e-47
0.234