Molecular Properties | |
SMILES: | CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1coc(C#N)c1)n1cccn1 |
MW: | 359.14 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 104.16 |
cLogP: | 1.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
UNK-CYC-68f84b31-87
0.659
UNK-CYC-68f84b31-85
0.571
UNK-CYC-68f84b31-20
0.416
UNK-CYC-68f84b31-23
0.355
UNK-CYC-68f84b31-28
0.347
UNK-CYC-68f84b31-86
0.343
UNK-CYC-68f84b31-22
0.339
UNK-CYC-68f84b31-76
0.297
UNK-CYC-68f84b31-19
0.277
UNK-CYC-68f84b31-89
0.274
UNK-CYC-68f84b31-57
0.267
UNK-CYC-68f84b31-21
0.258
UNK-CYC-68f84b31-5
0.257
UNK-CYC-68f84b31-11
0.243
UNK-CYC-68f84b31-2
0.241
MAR-TRE-dab8f6ea-36
0.221
BEN-VAN-77cef4f8-8
0.219
UNK-CYC-68f84b31-63
0.218
MAT-POS-a3f7f96a-4
0.216
SAD-SAT-1b030f84-10
0.216
JOH-UNI-522b0723-9
0.216
UNK-CYC-68f84b31-27
0.215
PET-SGC-0f1d26ed-1
0.215
UNK-CYC-68f84b31-31
0.214
JOH-UNI-522b0723-11
0.212
JAN-GHE-fd8d85a5-5
0.211
UNK-CYC-68f84b31-47
0.211
MAR-TRE-dab8f6ea-34
0.211
JAC-SHE-cfe9e938-1
0.211
AAR-POS-0daf6b7e-38
0.210
MAK-UNK-849bee6c-22
0.210
UNK-CYC-68f84b31-3
0.210
UNK-CYC-68f84b31-7
0.208
UNK-CYC-68f84b31-73
0.208
DAV-IMP-59dd6621-5
0.208
JAN-GHE-fd8d85a5-1
0.208
MAK-UNK-ec98eaf6-37
0.205
UNK-CYC-68f84b31-51
0.205
NIR-THE-0d6461ce-6
0.204
UNK-CYC-68f84b31-66
0.204
UNK-CYC-68f84b31-32
0.203
UNK-CYC-68f84b31-36
0.202
BEN-DND-362d364a-3
0.200
UNK-CYC-68f84b31-82
0.200
BEN-VAN-77cef4f8-11
0.200
UNK-CYC-68f84b31-69
0.200
MED-UNK-7e7dab56-5
0.200
MAK-UNK-849bee6c-25
0.200
JOR-UNI-61e7b1d5-25
0.198
MAK-UNK-a7992eb3-21
0.198
BAR-COM-0f94fc3d-7
0.198
MAK-UNK-ec98eaf6-22
0.198
JAN-GHE-fd8d85a5-4
0.198
BEN-VAN-77cef4f8-9
0.197
UNK-CYC-68f84b31-90
0.197
MAK-UNK-849bee6c-2
0.197
UNK-CYC-68f84b31-43
0.197
DAV-UNI-bdcebb58-1
0.197
MAR-TRE-dab8f6ea-48
0.197
AAR-POS-fca48359-3
0.197
MAR-TRE-0fda4e82-13
0.196
SAD-SAT-c989feaa-10
0.196
UNK-CYC-68f84b31-55
0.196
MAK-UNK-849bee6c-23
0.195
UNK-CYC-68f84b31-41
0.195
UNK-CYC-68f84b31-56
0.195
SAD-SAT-c989feaa-2
0.195
MAR-TRE-a9136c7b-13
0.195
JAN-GHE-fd8d85a5-6
0.195
NJA-MAN-00c90aa2-16
0.195
MAT-POS-ea426761-60
0.195
LUK-THE-533040b5-1
0.194
UNK-CYC-68f84b31-35
0.194
MAK-UNK-849bee6c-26
0.194
VAL-ASS-c8151e3f-1
0.194
JOH-UNI-522b0723-8
0.193
ABI-SAT-96764fe8-1
0.193
DAV-UNI-bdcebb58-4
0.193
ABI-UNK-6fa18b51-1
0.193
UNK-CYC-68f84b31-1
0.193
WIL-UNI-1faa9b10-41
0.193
WIL-UNI-1faa9b10-55
0.193
GAB-REV-70cc3ca5-19
0.193
UNK-CYC-68f84b31-68
0.192
UNK-CYC-68f84b31-48
0.192
MAR-TRE-dab8f6ea-43
0.192
REN-UFA-aaaed2d6-4
0.192
UNK-CYC-68f84b31-61
0.192
BRU-THA-92256091-74
0.191
BRU-THA-92256091-72
0.191
AAR-UNI-c25c2f1e-17
0.191
ALE-WAB-91866d3a-1
0.191
MAK-UNK-ec98eaf6-15
0.191
TAT-ENA-80bfd3e5-12
0.191
UNK-CYC-68f84b31-46
0.191
BEN-VAN-77cef4f8-7
0.191
MAR-TRE-1c920f6f-38
0.190
MAR-TRE-14ce9fd6-76
0.190
MAR-TRE-1c920f6f-19
0.190
MAR-TRE-1c920f6f-1
0.190