Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(F)(F)c2cccc(Cl)c2)CC1 |
MW: | 323.17 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.7723 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Filter52_NC_haloamine
N-C-Hal or cyano methyl
high halogen content (>3)
AAR-POS-d2a4d1df-1
MED-COV-4280ac29-38
0.544
MAK-UNK-6ca90168-15
0.484
JOH-UNI-27ac80fd-30
0.477
MAK-UNK-ec98eaf6-13
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SAD-SAT-65574d3f-9
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HYO-UNK-49a60884-1
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JOH-UNI-0e1753c1-3
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MED-COV-4280ac29-15
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AAR-POS-d2a4d1df-35
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MED-COV-4280ac29-6
0.446
MAK-UNK-ec98eaf6-18
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NIL-NON-a189c016-1
0.426
DRR-IMP-dff87f5e-8
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MAT-POS-162a9720-2
0.426
MED-COV-4280ac29-12
0.420
SEA-TRI-8222e606-1
0.408
MED-COV-4280ac29-7
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GIA-UNK-7337c2f3-2
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DAR-DIA-3e9bbd81-12
0.403
MED-COV-4280ac29-11
0.403
PAU-WEI-3e86dfd8-2
0.403
PAU-WEI-b9b69149-2
0.402
SEA-TRI-2c7f3de8-1
0.397
IND-SYN-6c8299e8-2
0.397
MED-COV-4280ac29-18
0.397
DRR-IMP-dff87f5e-4
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GIA-UNK-7337c2f3-13
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SAD-SAT-5b1897b2-4
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AHN-SAT-de2502ba-15
0.366
DAR-DIA-3e9bbd81-15
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MAK-UNK-704ed37c-11
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PAU-WEI-b9b69149-1
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AAR-POS-d2a4d1df-24
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GIA-UNK-7337c2f3-12
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SAD-SAT-1b030f84-9
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DAN-LON-a5fc619e-1
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DRR-IMP-38dce17f-1
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LON-WEI-8f408cad-4
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AAR-POS-d2a4d1df-23
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BEN-DND-03406596-10
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DRR-IMP-38dce17f-2
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MAR-TRE-6a44bbf2-18
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DRR-IMP-db50bf6e-3
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MAK-UNK-7c9d1431-29
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AAR-POS-0daf6b7e-2
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DRR-IMP-dff87f5e-6
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GIA-UNK-4de5abb1-1
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SAD-SAT-c989feaa-5
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PAU-WEI-b9b69149-3
0.349
PAU-UNI-8cdd41c7-1
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SIM-SYN-f15aaa3a-1
0.348
SAD-SAT-581007d4-5
0.348
DRR-IMP-db50bf6e-2
0.347
MAK-UNK-7c9d1431-10
0.347
DAR-DIA-fb20be43-8
0.346
GIA-UNK-4de5abb1-4
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PAU-UNI-19862c28-1
0.346
SAD-SAT-5b1897b2-10
0.343
LON-WEI-8f408cad-2
0.343
AAR-POS-d2a4d1df-32
0.343
SAD-SAT-581007d4-1
0.343
MAR-TRE-6a44bbf2-4
0.343
GIA-UNK-7337c2f3-1
0.342
AHN-SAT-de2502ba-3
0.342
DAN-LON-a5fc619e-2
0.342
VIK-SYN-bf9c9ac8-7
0.338
MAR-TRE-6a44bbf2-87
0.338
DRR-IMP-38dce17f-3
0.338
MAK-UNK-7c9d1431-24
0.338
VIK-SYN-9a3d118a-4
0.338
MAK-UNK-987948f6-2
0.338
MAK-UNK-6ca90168-10
0.338
NIR-THE-0d6461ce-1
0.338
AAR-POS-d2a4d1df-44
0.333
AAR-POS-0daf6b7e-17
0.333
MAT-POS-162a9720-4
0.333
HYO-UNK-50298ba0-1
0.333
STU-CHA-07310c75-1
0.333
MAK-UNK-7c9d1431-8
0.333
LON-WEI-8f408cad-5
0.333
ASH-SAT-43770c7d-10
0.333
MAR-TRE-6a44bbf2-26
0.333
SAD-SAT-bc31ec01-5
0.333
DRR-IMP-dff87f5e-3
0.333
NIM-UNI-05f93fcc-10
0.329
SIM-SYN-f15aaa3a-2
0.329
JOH-UNI-0e1753c1-5
0.329
DAN-LON-a5fc619e-3
0.329
GIA-UNK-4de5abb1-2
0.329
SAD-SAT-b55127ae-1
0.329
MAR-TRE-6a44bbf2-32
0.329
ABB-MCD-f8003a30-1
0.329
WAR-XCH-79d12f6e-7
0.329
AAR-POS-0daf6b7e-12
0.329
JOH-UNI-27ac80fd-23
0.329
AAR-POS-0daf6b7e-15
0.329
DRR-IMP-db50bf6e-5
0.329
DRR-IMP-38dce17f-4
0.329
AAR-POS-d2a4d1df-29
0.328
DRR-IMP-db50bf6e-1
0.328