Molecular Properties | |
SMILES: | CCC(C)C(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C#N)[nH]1 |
MW: | 348.2 |
Fraction sp3: | 0.61 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.99 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Long aliphatic chain
UNK-CYC-68f84b31-86
0.595
UNK-CYC-68f84b31-23
0.568
UNK-CYC-68f84b31-87
0.495
UNK-CYC-68f84b31-88
0.416
UNK-CYC-68f84b31-56
0.386
UNK-CYC-68f84b31-69
0.370
UNK-CYC-68f84b31-85
0.347
UNK-CYC-68f84b31-28
0.345
UNK-CYC-68f84b31-89
0.292
UNK-CYC-68f84b31-22
0.264
UNK-CYC-68f84b31-57
0.250
UNK-CYC-68f84b31-5
0.250
UNK-CYC-68f84b31-11
0.236
UNK-CYC-68f84b31-19
0.225
UNK-CYC-68f84b31-47
0.223
UNK-CYC-68f84b31-2
0.221
UNK-CYC-68f84b31-21
0.220
MAK-UNK-ec98eaf6-10
0.218
MAK-UNK-ec98eaf6-21
0.218
MAK-UNK-ec98eaf6-37
0.218
VAL-ASS-c8151e3f-1
0.216
UNK-CYC-68f84b31-36
0.214
UNK-CYC-68f84b31-82
0.213
MAK-UNK-ec98eaf6-22
0.211
UNK-CYC-68f84b31-7
0.211
VAL-UNK-82caa8e7-1
0.211
UNK-CYC-68f84b31-73
0.210
SAD-SAT-89668ff1-2
0.210
UNK-CYC-68f84b31-26
0.209
UNK-CYC-68f84b31-77
0.208
UNK-CYC-68f84b31-51
0.206
PET-SGC-0f1d26ed-1
0.206
MAK-UNK-df1a028e-4
0.206
UNK-CYC-68f84b31-66
0.206
NIR-THE-0d6461ce-6
0.206
UNK-CYC-68f84b31-1
0.205
ALE-WAB-91866d3a-1
0.204
MAR-TRE-3e4e6814-58
0.204
UNK-CYC-68f84b31-61
0.204
SKY-OHS-790853a8-1
0.203
JOH-UNI-c7afdb96-14
0.202
JAN-GHE-fd8d85a5-5
0.202
MAR-TRE-6c5ef77a-86
0.202
MAR-TRE-a3327163-36
0.202
MAR-TRE-0fda4e82-91
0.202
UNK-CYC-68f84b31-3
0.202
NIC-BIO-a68395b7-1
0.200
JAN-GHE-fd8d85a5-4
0.200
PET-SGC-0f1d26ed-2
0.200
JAN-GHE-fd8d85a5-7
0.200
SID-ELM-433ea7f3-3
0.198
UNK-CYC-68f84b31-83
0.198
MAR-TRE-6c5ef77a-82
0.198
AAR-POS-fca48359-3
0.198
DAV-UNI-bdcebb58-1
0.198
NIC-BIO-7d400292-4
0.198
DAV-IMP-59dd6621-5
0.198
JAN-GHE-fd8d85a5-1
0.198
KEI-TRE-fa9ada3e-12
0.198
MAR-TRE-ebcc4ad6-33
0.198
MAR-TRE-a3327163-75
0.196
MAR-TRE-0fda4e82-85
0.196
MAT-POS-ea426761-60
0.196
KIM-UNI-7d12df64-2
0.196
SID-ELM-433ea7f3-4
0.195
UNK-CYC-68f84b31-62
0.195
MIC-UNK-2744a8e2-1
0.195
MAR-TRE-0fda4e82-24
0.195
JAC-SHE-cfe9e938-1
0.194
JOR-UNI-61e7b1d5-27
0.194
DRA-CSI-47e38074-3
0.194
VAL-ASS-db6a4353-1
0.194
UNK-CYC-68f84b31-68
0.193
UNK-CYC-68f84b31-48
0.193
SAD-SAT-f25ee457-2
0.193
BEN-DND-362d364a-3
0.192
MAR-TRE-0fda4e82-93
0.191
MAR-TRE-a3327163-76
0.191
ALP-POS-a30bcdb4-2
0.191
NJA-MAN-b8640440-4
0.190
GAB-REV-df64cf17-17
0.190
JOR-UNI-61e7b1d5-25
0.190
MED-UNK-7e7dab56-5
0.190
THO-SYG-98fc3427-7
0.190
SID-UNK-90efdc9b-1
0.190
KUS-THE-322b9b63-4
0.190
MAK-UNK-a7992eb3-21
0.190
UNK-CYC-68f84b31-80
0.190
MAR-TRE-0fda4e82-73
0.190
UNK-CYC-68f84b31-63
0.190
ALP-POS-c0ee8219-15
0.190
MAT-POS-2492181e-12
0.189
MAR-TRE-6c5ef77a-2
0.189
MAR-TRE-6c5ef77a-85
0.189
THO-SYG-98fc3427-6
0.189
AAR-UNI-c25c2f1e-75
0.189
MAR-TRE-0fda4e82-16
0.189
MAK-UNK-3f402c2b-13
0.189
UNK-CYC-68f84b31-49
0.189
UNK-CYC-68f84b31-6
0.189