Molecular Properties | |
SMILES: | O=C1OC(c2cccs2)=N/C1=C/C1COc2ccc(Cl)cc21 |
MW: | 331.01 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 47.89 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
ene_five_het_G(10)
MAT-POS-fa06b69f-6
DAR-DIA-8b715a25-14
0.705
DAR-DIA-8b715a25-3
0.411
DAR-DIA-8b715a25-5
0.387
DAR-DIA-8b715a25-1
0.383
DAR-DIA-8b715a25-16
0.369
DAR-DIA-8b715a25-6
0.350
DAR-DIA-8b715a25-4
0.337
DAR-DIA-8b715a25-2
0.337
DAR-DIA-8b715a25-15
0.337
DAR-DIA-8b715a25-12
0.327
MAT-POS-fa06b69f-6
0.320
VLA-UNK-0ffe3317-3
0.283
VLA-UNK-0ffe3317-5
0.278
MIC-UNK-deda7a44-5
0.270
NAU-LAT-8502cac5-2
0.270
JAG-UCB-c61058a9-18
0.270
JAG-UCB-c61058a9-23
0.265
ALF-EVA-a24cc7ce-1
0.264
NAU-LAT-8502cac5-6
0.264
ALP-POS-6495d03e-5
0.264
JAG-UCB-c61058a9-5
0.263
JAG-UCB-c61058a9-3
0.262
PET-UNK-b1ef24dc-8
0.262
MAT-POS-bbbbc21a-2
0.260
MAT-POS-f7918075-2
0.260
EDJ-MED-12c115cc-1
0.260
EDJ-MED-12c115cc-2
0.260
ALP-POS-6495d03e-4
0.259
NIR-THE-2069301b-1
0.259
MAK-UNK-919546f0-6
0.258
JAG-UCB-c61058a9-14
0.257
DAR-DIA-6a508060-7
0.257
LON-WEI-0a73fcb8-2
0.257
PET-UNK-7f7e354d-1
0.257
JAG-UCB-c61058a9-27
0.255
JAG-UCB-a3ef7265-3
0.255
JOH-UNI-21fd6073-3
0.254
LON-WEI-0a73fcb8-5
0.253
NAU-LAT-28398581-7
0.252
WIL-UCB-7ba4ac3a-3
0.252
ALF-EVA-a24cc7ce-8
0.252
ALF-EVA-a24cc7ce-2
0.252
ADA-UCB-dc2b944c-9
0.252
JOH-UNI-f51e3bbc-3
0.252
NIR-THE-47736cde-2
0.250
MAK-UNK-919546f0-7
0.250
ALP-POS-79636100-1
0.250
ALP-POS-e2fddb0f-2
0.250
JAG-UCB-c61058a9-1
0.250
JAG-UCB-c61058a9-29
0.250
ALP-POS-902f21bb-2
0.250
DAR-DIA-5a24bef0-13
0.250
MAT-POS-e69ad64a-2
0.250
NIR-THE-47736cde-1
0.250
JAG-UCB-47403a7c-1
0.250
NAU-LAT-64bf4c5d-2
0.248
LON-WEI-0a73fcb8-1
0.248
JOH-UNI-21fd6073-4
0.246
JAG-UCB-52b62a6f-5
0.245
BEN-DND-a7517465-5
0.245
ERI-UCB-b3e6b0c2-10
0.245
JAG-UCB-52b62a6f-7
0.245
VLA-UCB-53bdeed6-3
0.245
VLA-UNK-0ffe3317-2
0.245
VLA-UNK-0ffe3317-7
0.245
PET-UNK-158bee2a-5
0.245
PET-UNK-158bee2a-7
0.245
PET-UNK-f4e47ebd-4
0.243
NIR-THE-af15c15d-1
0.243
EDJ-MED-e4b030d8-6
0.243
EDG-MED-fe7487f8-2
0.243
EDG-MED-4b32601a-1
0.243
MAR-UCB-6ab2ec87-5
0.243
JOH-UNI-ea72002d-4
0.242
EDJ-MED-ba7e64f2-3
0.241
BEN-DND-a7517465-1
0.241
JAN-GHE-299e5c7e-4
0.241
NAU-LAT-64bf4c5d-6
0.241
JOH-UNI-21fd6073-2
0.241
MAT-POS-a3f7f96a-2
0.240
JOH-UNI-16fcdf60-1
0.240
KRI-MAR-d2e3ef86-21
0.239
MAK-UNK-8be7dca9-3
0.239
ALF-EVA-a24cc7ce-4
0.239
DAR-DIA-6a508060-15
0.238
NAU-LAT-8502cac5-11
0.238
EDG-MED-fe7487f8-14
0.238
JAG-UCB-c61058a9-41
0.238
NAU-LAT-b7d8c353-7
0.238
VLA-UCB-53bdeed6-2
0.238
MAT-POS-ea426761-9
0.238
MAT-POS-fa06b69f-1
0.238
ALF-EVA-ced740bd-1
0.237
IND-SYN-6c8299e8-6
0.237
DAR-DIA-6a508060-1
0.236
ALP-POS-6495d03e-1
0.236
VLA-UCB-1dbca3b4-16
0.236
NAU-LAT-64bf4c5d-3
0.236
VLA-UNK-5c5a631c-2
0.235
JOH-UNI-21fd6073-1
0.235