Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(CC2=CNC3C=CC(C#N)=CC23)CC1 |
MW: | 296.374 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.37 |
cLogP: | 0.80828 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Acrylonitriles
JAN-GHE-bf40f168-12
0.689
JAN-GHE-bf40f168-11
0.618
JAN-GHE-bf40f168-10
0.582
JAN-GHE-bf40f168-13
0.482
SAD-SAT-1f400d17-1
0.375
ANT-OPE-d972fbad-1
0.365
MAT-POS-2db6411e-1
0.360
SAD-SAT-581007d4-8
0.359
SAD-SAT-1f400d17-6
0.351
AHN-SAT-02ef6d10-6
0.351
SAD-SAT-b55127ae-4
0.346
SAD-SAT-b55127ae-10
0.346
MAK-UNK-10dfa458-1
0.342
SAD-SAT-2ceae68f-8
0.341
MAK-UNK-10dfa458-2
0.338
ANT-OPE-c0c3e7cc-1
0.338
TOB-UNK-c2aba166-2
0.333
SAD-SAT-f0a2747f-6
0.329
MAK-UNK-6ca90168-13
0.325
AHN-SAT-02ef6d10-10
0.325
JOO-IND-6372a4f3-4
0.321
MAK-UNK-10dfa458-8
0.321
JAN-GHE-6413aaf8-9
0.315
MAK-UNK-10dfa458-7
0.301
MAT-POS-4e253971-2
0.300
MAK-UNK-10dfa458-13
0.298
MAK-UNK-10dfa458-14
0.296
JAN-GHE-6413aaf8-5
0.293
JAN-GHE-6413aaf8-7
0.290
JAN-GHE-6413aaf8-6
0.284
STU-CHA-128b80be-2
0.277
JAN-GHE-6413aaf8-1
0.271
JAN-GHE-6413aaf8-8
0.269
JOH-UNI-27ac80fd-3
0.268
SAD-SAT-f0a2747f-9
0.267
NIR-THE-b7e8e081-1
0.267
MAK-UNK-10dfa458-15
0.259
MAK-UNK-6ca90168-14
0.256
DRR-IMP-38dce17f-7
0.256
MAK-UNK-212f693e-24
0.256
MED-COV-4280ac29-35
0.255
SAD-SAT-6b5a89f0-9
0.254
MAK-UNK-6ca90168-16
0.254
JOH-UNI-0e1753c1-2
0.253
SEA-TRI-98d2cd42-1
0.252
AHN-SAT-02ef6d10-7
0.247
AHN-SAT-02ef6d10-3
0.244
WAR-XCH-72a8c209-10
0.242
AHN-SAT-02ef6d10-4
0.242
ANT-OPE-3756b28b-1
0.242
MAK-UNK-10dfa458-9
0.241
MAK-UNK-6ca90168-2
0.239
MAL-CSI-dcae516d-1
0.239
MAK-UNK-849bee6c-8
0.238
MAK-UNK-10dfa458-38
0.238
JAN-GHE-fd8d85a5-6
0.237
JOH-UNI-27ac80fd-26
0.235
MAK-UNK-6ca90168-21
0.235
MAK-UNK-6ca90168-12
0.235
DAV-CRI-d1e0885a-6
0.234
FAB-UNK-7ad5ab26-2
0.234
PAT-UNK-b2d83456-1
0.233
SAD-SAT-5b1897b2-2
0.233
PEI-IMP-3d837503-2
0.232
SAD-SAT-bc31ec01-7
0.231
JON-UIO-066ce08b-10
0.229
SAD-SAT-3a925b8b-10
0.229
MED-COV-4280ac29-32
0.228
JAN-GHE-fd8d85a5-1
0.228
SAD-SAT-2ceae68f-4
0.228
JAN-GHE-c863d918-1
0.228
MAK-UNK-10dfa458-10
0.227
SAD-SAT-b55127ae-1
0.227
MAK-UNK-10dfa458-18
0.226
MED-COV-4280ac29-14
0.226
MAK-UNK-10dfa458-6
0.226
MAK-UNK-10dfa458-20
0.226
BEN-VAN-77cef4f8-10
0.225
BEN-VAN-77cef4f8-11
0.225
SAD-SAT-c989feaa-7
0.224
JAN-GHE-bf40f168-1
0.224
JAG-SYN-9c2cd0bd-1
0.224
MAK-UNK-10dfa458-4
0.224
BEN-DND-03ad4429-7
0.224
MAK-UNK-10dfa458-21
0.224
PAT-UNK-b2d83456-5
0.223
JOH-MSK-d60b0211-1
0.223
MAT-POS-ee51dedd-1
0.222
MAK-UNK-849bee6c-9
0.222
DAV-CRI-d1e0885a-1
0.222
MAK-UNK-10dfa458-45
0.222
DAV-CRI-d1e0885a-5
0.221
JAN-GHE-fd8d85a5-8
0.221
DAV-IMP-59dd6621-23
0.221
SAD-SAT-b55127ae-5
0.221
ANT-OPE-e67e7ba0-1
0.220
SEA-TRI-f93fcab4-1
0.219
PAU-UNI-52c0427f-1
0.219
DAR-DIA-fb20be43-4
0.219
DAV-CRI-d1e0885a-4
0.219