Molecular Properties | |
SMILES: | C=CC(=O)N1CCO[C@H](c2ccc(F)c(CO[C@H](C)Nc3cccnc3Cl)c2)C1 |
MW: | 419.884 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 63.69 |
cLogP: | 3.9347 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
non_ring_acetal
2-halo pyridine
het-C-het not in ring
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
BEN-VAN-77cef4f8-1
0.811
BEN-VAN-77cef4f8-5
0.752
BEN-VAN-77cef4f8-6
0.725
BEN-VAN-77cef4f8-3
0.602
BEN-VAN-77cef4f8-2
0.602
SAD-SAT-1f400d17-3
0.393
BEN-VAN-77cef4f8-11
0.357
BEN-VAN-77cef4f8-12
0.344
BEN-VAN-77cef4f8-10
0.336
SAD-SAT-f0a2747f-10
0.333
TRY-UNI-9f475305-9
0.321
AAR-POS-d2a4d1df-33
0.295
MAR-TRE-6a44bbf2-39
0.295
MAR-TRE-dab8f6ea-28
0.283
AGN-NEW-cce853d0-3
0.282
IND-SYN-6c8299e8-12
0.278
MAR-TRE-dab8f6ea-49
0.276
SAD-SAT-2ceae68f-10
0.276
AGN-NEW-cce853d0-1
0.271
JOK-SYG-8934678c-1
0.268
MAR-TRE-7f7bb9f0-61
0.267
AAR-POS-0daf6b7e-20
0.265
SAD-SAT-b55127ae-8
0.265
BEN-VAN-77cef4f8-8
0.261
BAR-COM-0f94fc3d-31
0.260
MAR-TRE-67513f76-71
0.260
MAR-TRE-9c797165-96
0.259
ANT-OPE-3756b28b-1
0.259
SAD-SAT-c989feaa-6
0.254
MAR-TRE-7f7bb9f0-42
0.254
MAR-TRE-9c797165-42
0.254
BOG-INS-16021dc0-1
0.250
BEN-VAN-77cef4f8-9
0.248
MAR-TRE-7f7bb9f0-48
0.246
MAR-TRE-3e4e6814-95
0.246
MAR-TRE-d0525fbf-93
0.246
MAR-TRE-7f7bb9f0-55
0.246
SID-ELM-8b394441-4
0.245
MAR-TRE-9c797165-49
0.244
MAR-TRE-dab8f6ea-15
0.244
BEN-VAN-77cef4f8-7
0.243
MAR-TRE-3e4e6814-63
0.242
MAR-TRE-7f7bb9f0-23
0.240
ANT-OPE-e67e7ba0-1
0.240
MAR-TRE-9c797165-76
0.237
SEA-TRI-98d2cd42-1
0.237
STU-CHA-128b80be-2
0.236
MAR-TRE-9c797165-27
0.236
MAR-TRE-67513f76-54
0.236
ED_-GRI-5b13fbe2-74
0.235
MAR-TRE-d0525fbf-83
0.234
LON-WEI-b2874fec-8
0.234
MAR-TRE-3159af1a-90
0.234
MAK-UNK-a7b37c5e-3
0.234
SAD-SAT-c989feaa-7
0.233
ED_-GRI-5b13fbe2-66
0.233
MAR-TRE-74c6519b-44
0.233
FOC-CAS-e3a94da8-2
0.230
MAR-TRE-f6f5f473-30
0.230
MAR-TRE-4b834d9a-29
0.230
AHN-SAT-02ef6d10-8
0.228
SID-ELM-1f105489-6
0.227
RAV-REL-e0cd5b56-1
0.226
BOG-INS-8ebd826b-1
0.226
SAD-SAT-b55127ae-1
0.225
DAR-DIA-0587064e-24
0.224
SID-ELM-8b394441-3
0.224
BOG-INS-d6bb07dc-1
0.224
BAR-COM-0f94fc3d-27
0.223
MAT-POS-5369c344-5
0.222
KAD-UNI-877d7bed-8
0.221
SEA-TRI-078a8df3-1
0.221
BEN-VAN-d8fd1356-26
0.221
AGN-NEW-cce853d0-2
0.220
ALP-POS-42f3de95-3
0.219
BOG-INS-da52c1c2-1
0.219
BEN-DND-362d364a-2
0.219
NIM-UNI-310206f0-11
0.219
MAK-UNK-d508046f-12
0.219
SID-ELM-1f105489-3
0.218
MAK-UNK-d508046f-20
0.218
MAR-TRE-d0525fbf-2
0.217
KAD-UNI-877d7bed-11
0.217
MAR-TRE-7f7bb9f0-1
0.216
MAK-UNK-d508046f-1
0.216
MED-COV-4280ac29-32
0.216
SIM-DEM-2843056b-5
0.215
LON-WEI-adc59df6-66
0.215
MAR-TRE-3e4e6814-19
0.215
LON-WEI-adc59df6-33
0.215
KAD-UNI-877d7bed-10
0.215
NIM-UNI-310206f0-13
0.214
MAR-TRE-7f7bb9f0-65
0.214
JAN-GHE-6413aaf8-10
0.214
MAK-UNK-10dfa458-9
0.214
JON-UIO-066ce08b-4
0.214
MAT-POS-5369c344-7
0.214
BOG-INS-177e97e6-1
0.214
DAR-DIA-0587064e-22
0.214
MAR-TRE-67513f76-56
0.214