Molecular Properties | |
SMILES: | CCC(C#N)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC(C)C1CCCO1 |
MW: | 353.21 |
Fraction sp3: | 0.83 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 82.43 |
cLogP: | 1.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Long aliphatic chain
UNK-CYC-68f84b31-33
0.353
UNK-CYC-68f84b31-87
0.308
UNK-CYC-68f84b31-20
0.292
UNK-CYC-68f84b31-85
0.280
UNK-CYC-68f84b31-88
0.274
UNK-CYC-68f84b31-28
0.264
ALE-WAB-91866d3a-1
0.263
UNK-CYC-68f84b31-86
0.262
UNK-CYC-68f84b31-23
0.241
ALE-WAB-91866d3a-2
0.228
ALE-WAB-91866d3a-3
0.225
LON-WEI-4d77710c-13
0.223
LON-WEI-5e7d1b3e-13
0.223
UNK-CYC-68f84b31-19
0.212
JON-UNI-2a110085-1
0.212
UNK-CYC-68f84b31-82
0.211
DAV-IMP-59dd6621-5
0.208
UNK-CYC-68f84b31-2
0.208
MAR-TRE-4b834d9a-28
0.205
UNK-CYC-68f84b31-21
0.198
MAT-POS-590ac91e-14
0.198
MAK-UNK-be3f299e-5
0.198
UNK-CYC-68f84b31-22
0.197
UNK-CYC-68f84b31-16
0.196
UNK-CYC-68f84b31-57
0.195
UNK-CYC-68f84b31-77
0.194
MAR-TRE-be9ff7d2-80
0.193
UNK-CYC-68f84b31-47
0.192
MAK-UNK-ec98eaf6-25
0.192
UNK-CYC-68f84b31-68
0.192
SAD-SAT-f25ee457-4
0.191
UNK-CYC-68f84b31-5
0.191
MAR-TRE-d0525fbf-32
0.190
PET-SGC-cb83a00c-1
0.188
MAR-TRE-be9ff7d2-96
0.188
MAR-TRE-3724962b-10
0.188
MAR-TRE-7f7bb9f0-34
0.187
MAR-TRE-e82e6c98-5
0.187
WIL-LEE-1f71e281-1
0.185
UNK-CYC-68f84b31-56
0.185
JAN-GHE-fd8d85a5-12
0.184
ALE-ALC-890838c9-1
0.184
ALE-ALC-9a85a81e-1
0.184
AAR-POS-d2a4d1df-21
0.184
MAR-TRE-67513f76-1
0.183
MAR-TRE-9c797165-90
0.183
UNK-CYC-68f84b31-32
0.183
MAT-POS-7ed7af85-1
0.181
SAD-SAT-f25ee457-2
0.181
UNK-CYC-68f84b31-11
0.181
MAR-TRE-be9ff7d2-24
0.181
MAR-TRE-be9ff7d2-100
0.181
PET-SGC-276eba5a-1
0.180
MAR-TRE-67513f76-62
0.180
MAR-TRE-3e4e6814-60
0.180
AAR-POS-0daf6b7e-23
0.180
UNK-CYC-68f84b31-73
0.180
MAR-TRE-e82e6c98-37
0.179
ALP-POS-88a7a97e-27
0.178
UNK-CYC-68f84b31-55
0.178
MAR-TRE-6c5ef77a-42
0.177
BAR-COM-0f94fc3d-7
0.177
MAR-TRE-fd17a9b8-45
0.177
RED-RED-10c9212c-36
0.177
MAT-POS-b5746674-101
0.176
LON-WEI-4d77710c-34
0.176
UNK-CYC-68f84b31-83
0.176
LON-WEI-5e7d1b3e-34
0.176
ALE-ALC-f14a0fae-1
0.176
MAR-TRE-799db12b-7
0.176
MAR-TRE-a9136c7b-29
0.175
DAV-UNI-bdcebb58-1
0.175
AAR-POS-fca48359-3
0.175
MAR-TRE-c317dd82-51
0.175
ROB-UNI-b2e39629-12
0.175
ASH-SAT-43770c7d-6
0.175
MAR-TRE-be9ff7d2-16
0.175
PRA-FNM-00b4ace8-1
0.175
MAK-UNK-f2409524-14
0.174
SCO-VAN-260d9628-4
0.174
MAR-TRE-c317dd82-67
0.174
MAK-UNK-b1917cc8-4
0.173
ALP-POS-780445ae-10
0.173
JON-UIO-066ce08b-6
0.173
MAK-UNK-5d2caa6f-5
0.173
UNK-CYC-68f84b31-1
0.172
UNK-CYC-68f84b31-31
0.172
MAR-TRE-fd17a9b8-2
0.172
JAK-UCS-5a86e276-1
0.172
MAR-TRE-0fda4e82-37
0.172
ALP-POS-02c6a514-17
0.172
MAR-TRE-0fda4e82-3
0.171
UNK-CYC-68f84b31-66
0.171
MAR-TRE-0fda4e82-2
0.171
MAR-TRE-c8530538-49
0.171
TAM-UNI-d1c3dd9f-21
0.171
MAR-TRE-67513f76-29
0.171
ALI-DIA-59c2fdb0-7
0.171
SAD-SAT-f25ee457-3
0.171
ALE-ALC-eee7d543-1
0.171