Molecular Properties | |
SMILES: | O=C(CCl)N1CCO[C@H](c2cc(F)cc3c2CO[C@@H]3Cc2cc(O)cc(F)c2)C1 |
MW: | 423.843 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.0 |
cLogP: | 3.6231 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Dye 2
AAR-POS-d2a4d1df-33
BOG-INS-d6bb07dc-1
0.641
BOG-INS-da52c1c2-1
0.571
AAR-POS-d2a4d1df-33
0.382
MAR-TRE-6a44bbf2-39
0.382
BOG-INS-16021dc0-1
0.350
JOK-SYG-8934678c-1
0.330
BOG-INS-177e97e6-1
0.325
SAD-SAT-581007d4-9
0.320
IND-SYN-6c8299e8-12
0.276
SAD-SAT-c989feaa-1
0.269
SAD-SAT-1f400d17-3
0.265
SAD-SAT-581007d4-1
0.263
MAT-POS-2db6411e-2
0.263
MAR-TRE-dab8f6ea-49
0.263
SAD-SAT-581007d4-7
0.263
SAD-SAT-f25ee457-1
0.254
SAD-SAT-2ceae68f-10
0.250
KAI-MCD-cb49037b-1
0.247
DRR-IMP-38dce17f-2
0.247
PAT-MCD-fb0933e5-1
0.245
BEN-DND-76ad4ac9-3
0.243
BEN-DND-76ad4ac9-4
0.242
SEA-TRI-38830027-1
0.242
BEN-VAN-77cef4f8-2
0.240
BEN-VAN-77cef4f8-3
0.240
MAR-TRE-dab8f6ea-15
0.239
PAU-UNI-8cdd41c7-1
0.237
SAD-SAT-3a925b8b-5
0.237
JOE-SYG-2c9a1216-1
0.236
SEA-TRI-8252c13b-1
0.236
SAD-SAT-bc31ec01-6
0.236
HYO-UNK-1819783d-1
0.235
BEN-VAN-77cef4f8-6
0.235
DAR-DIA-caba39e3-13
0.234
DAR-DIA-fb20be43-12
0.234
SAD-SAT-65574d3f-6
0.233
BEN-VAN-77cef4f8-5
0.233
SAD-SAT-bc31ec01-7
0.233
BEN-VAN-77cef4f8-1
0.233
DAN-MCD-3ec20f87-1
0.232
AVI-UNI-70b60925-1
0.231
THO-SYG-4e0386bb-2
0.231
AVI-UNI-70b60925-2
0.230
SAD-SAT-c989feaa-4
0.229
BEN-VAN-77cef4f8-8
0.228
DAR-DIA-caba39e3-6
0.228
DAR-DIA-caba39e3-7
0.228
DAN-LON-a5fc619e-3
0.227
JOH-UNI-0e1753c1-5
0.227
LON-WEI-120e5cf5-8
0.227
SAD-SAT-581007d4-5
0.227
NIM-UNI-43fe0159-3
0.227
SEA-TRI-fac72a44-1
0.227
MAR-TRE-dab8f6ea-28
0.226
BEN-VAN-77cef4f8-4
0.226
MAK-UNK-7c9d1431-16
0.225
SAD-SAT-5b1897b2-5
0.225
MAR-TRE-6a44bbf2-54
0.225
DAN-LON-a5fc619e-9
0.225
SAD-SAT-c989feaa-8
0.225
BEN-VAN-77cef4f8-9
0.225
SAD-SAT-581007d4-2
0.224
DRR-IMP-db50bf6e-1
0.223
SAD-SAT-3a925b8b-4
0.223
MED-COV-4280ac29-33
0.223
MAK-UNK-df1a028e-6
0.223
DAN-LON-a5fc619e-7
0.223
SIM-SYN-7db9eb24-1
0.223
MED-COV-4280ac29-2
0.223
CHR-MCD-2f2b3cc8-1
0.223
DAR-DIA-caba39e3-1
0.222
DAN-MCD-c163c0bb-1
0.222
JOH-UNI-e19b918c-12
0.222
MAR-TRE-dab8f6ea-9
0.221
JOH-UNI-27ac80fd-28
0.221
MAK-UNK-af83ef51-1
0.221
DAN-LON-a5fc619e-1
0.219
NIM-UNI-43fe0159-10
0.219
JOH-UNI-27ac80fd-8
0.219
BEN-VAN-77cef4f8-7
0.219
JOO-PER-d7ab4f65-1
0.218
SAD-SAT-c989feaa-10
0.218
SAD-SAT-c989feaa-5
0.218
PED-UNI-b79f0f51-1
0.218
BEN-VAN-77cef4f8-11
0.218
TAM-UNI-d1c3dd9f-7
0.218
WAR-XCH-bdd24732-20
0.217
NEH-REV-107bcf72-3
0.217
MAK-UNK-7c9d1431-18
0.217
NIM-UNI-310206f0-46
0.217
MAK-UNK-6ca90168-15
0.216
BEN-VAN-77cef4f8-12
0.216
NIR-THE-0d6461ce-8
0.216
HYO-UNK-1dbfcf16-1
0.216
SAD-SAT-c989feaa-2
0.216
DAR-DIA-fb20be43-2
0.215
RED-RED-10c9212c-18
0.215
ALE-SYG-bac15da4-2
0.215
WAR-XCH-bdd24732-19
0.215
DAN-LON-a5fc619e-6
0.214