Molecular Properties | |
SMILES: | N#Cc1cccc(C(CCc2ccc(C(F)(F)F)cc2)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 449.904 |
Fraction sp3: | 0.39 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 47.34 |
cLogP: | 4.63398 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
high halogen content (>3)
PAU-WEI-b9b69149-6
0.762
PAU-WEI-b9b69149-4
0.747
PAU-WEI-b9b69149-2
0.725
MAK-UNK-ec98eaf6-52
0.606
PAU-WEI-b9b69149-3
0.534
PAU-WEI-b9b69149-1
0.517
DAR-DIA-3e9bbd81-11
0.466
MAK-UNK-ec98eaf6-53
0.455
PAU-WEI-b9b69149-9
0.445
MAK-UNK-ec98eaf6-51
0.436
GIA-UNK-7337c2f3-12
0.420
DAR-DIA-3e9bbd81-16
0.402
MAT-POS-ee51dedd-1
0.386
SEL-UNI-cd366922-9
0.383
MAK-UNK-10dfa458-40
0.374
GIA-UNK-7337c2f3-13
0.372
MAK-UNK-10dfa458-39
0.371
MAR-TRE-6a44bbf2-92
0.360
MED-COV-4280ac29-6
0.345
MED-COV-4280ac29-34
0.339
DRR-IMP-38dce17f-7
0.337
MAK-UNK-6ca90168-14
0.337
DRR-IMP-dff87f5e-6
0.337
MAK-UNK-af83ef51-2
0.333
SIM-SYN-f15aaa3a-1
0.333
NIL-NON-a189c016-1
0.333
SEL-UNI-cd366922-2
0.333
MAT-POS-162a9720-2
0.333
GIA-UNK-7337c2f3-5
0.330
SWA-SYN-6423ea73-7
0.330
SWA-SYN-d2e6fa14-7
0.330
SAD-SAT-c989feaa-2
0.327
TAM-UNI-d1c3dd9f-17
0.327
PAU-WEI-b9b69149-8
0.325
MED-COV-4280ac29-7
0.323
MAR-TRE-6a44bbf2-77
0.322
GIA-UNK-4de5abb1-4
0.320
DAR-DIA-3e9bbd81-12
0.319
GIA-UNK-7337c2f3-2
0.319
TAT-ENA-80bfd3e5-10
0.316
MED-COV-4280ac29-18
0.316
IND-SYN-6c8299e8-2
0.316
GIA-UNK-7337c2f3-8
0.316
AHN-SAT-de2502ba-1
0.316
GIA-UNK-20b63697-1
0.315
DAR-DIA-3e9bbd81-7
0.314
TAM-UNI-d1c3dd9f-18
0.313
SEA-TRI-8222e606-1
0.313
MED-COV-4280ac29-23
0.312
GIA-UNK-7337c2f3-4
0.312
GIA-UNK-20b63697-7
0.311
NIM-UNI-310206f0-35
0.310
NIR-THE-c331be7a-2
0.310
DAR-DIA-fb20be43-3
0.310
GIA-UNK-4de5abb1-1
0.309
PAU-WEI-b9b69149-7
0.308
MAK-UNK-ec98eaf6-56
0.307
NIM-UNI-05f93fcc-10
0.307
SIM-SYN-f15aaa3a-2
0.307
DAR-DIA-fb20be43-6
0.307
MAK-UNK-987948f6-3
0.307
MAK-UNK-ec98eaf6-50
0.306
MAK-UNK-849bee6c-9
0.304
MIH-UNI-e573136b-7
0.303
VIK-SYN-9a3d118a-8
0.302
MED-COV-4280ac29-29
0.301
GIA-UNK-7337c2f3-1
0.301
GIA-UNK-7337c2f3-15
0.300
NIM-UNI-310206f0-21
0.299
MAK-UNK-849bee6c-6
0.299
GIA-UNK-7337c2f3-7
0.298
PAU-WEI-3e86dfd8-2
0.297
WAL-WAB-df110a02-2
0.297
MAK-UNK-6ca90168-9
0.297
DRR-IMP-38dce17f-2
0.297
GIA-UNK-7337c2f3-6
0.295
GIA-UNK-7337c2f3-10
0.295
GIA-UNK-4de5abb1-2
0.294
SEA-TRI-2c7f3de8-1
0.294
DRR-IMP-dff87f5e-9
0.293
GIA-UNK-7337c2f3-11
0.293
MAK-UNK-6ca90168-8
0.292
MAK-UNK-849bee6c-4
0.290
MAR-TRE-6a44bbf2-52
0.289
HYO-UNK-49a60884-1
0.289
MED-COV-4280ac29-15
0.289
AAR-POS-d2a4d1df-35
0.289
LON-WEI-8f408cad-3
0.289
AAR-POS-d2a4d1df-22
0.289
JOH-UNI-0e1753c1-3
0.289
MAK-UNK-6ca90168-7
0.289
DAR-DIA-3e9bbd81-15
0.287
MAK-UNK-ec98eaf6-49
0.287
WAR-XCH-bdd24732-19
0.286
AAR-POS-d2a4d1df-24
0.286
GIA-UNK-20b63697-4
0.286
NIM-UNI-ed9fc491-3
0.284
SEL-UNI-cd366922-5
0.284
AAR-POS-0daf6b7e-16
0.284
PAU-WEI-f734c343-3
0.283