Molecular Properties | |
SMILES: | O=C1OC(c2cccs2)=N/C1=C/c1nc(N2CCOCC2)co1 |
MW: | 331.06 |
Fraction sp3: | 0.27 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 77.16 |
cLogP: | 1.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
ene_five_het_G(10)
MAT-POS-fa06b69f-6
MAT-POS-fa06b69f-6
0.542
DAR-DIA-8b715a25-16
0.410
DAR-DIA-8b715a25-3
0.337
DAR-DIA-8b715a25-13
0.327
DAR-DIA-8b715a25-17
0.323
DAR-DIA-8b715a25-18
0.323
DAR-DIA-8b715a25-10
0.320
DAR-DIA-8b715a25-14
0.317
DAR-DIA-8b715a25-5
0.316
DAR-DIA-8b715a25-1
0.313
DAR-DIA-8b715a25-19
0.313
DAR-DIA-8b715a25-4
0.311
DAR-DIA-8b715a25-11
0.310
DAR-DIA-8b715a25-2
0.298
DAR-DIA-8b715a25-6
0.298
DAR-DIA-8b715a25-15
0.287
DAR-DIA-8b715a25-20
0.264
DAR-DIA-8b715a25-8
0.257
DAR-DIA-8b715a25-9
0.246
MAR-TRE-3159af1a-28
0.243
DAR-DIA-8b715a25-7
0.241
MAT-POS-ea426761-9
0.238
MAT-POS-fa06b69f-1
0.238
MAR-TRE-67513f76-86
0.234
MAR-TRE-3159af1a-71
0.234
MAR-TRE-fd17a9b8-68
0.224
MAT-POS-ea426761-8
0.224
MAR-TRE-9c797165-58
0.222
MAR-TRE-3159af1a-82
0.219
MAR-TRE-3159af1a-17
0.218
MAR-TRE-9c797165-83
0.216
MAR-TRE-4b834d9a-64
0.212
MAR-TRE-f5c2d31c-96
0.211
ALP-POS-6d04362c-5
0.211
MAR-TRE-9c797165-69
0.211
MAR-TRE-9c797165-32
0.210
MAR-TRE-f5c2d31c-39
0.209
MAR-LAB-ff9967db-39
0.208
MAR-TRE-3159af1a-52
0.207
MAR-TRE-f5c2d31c-33
0.207
MAR-TRE-f5c2d31c-63
0.207
MAR-TRE-f5c2d31c-83
0.207
GIA-UNK-30c7cb75-2
0.207
MAR-TRE-f5c2d31c-9
0.205
UNK-UNK-2ede4078-82
0.205
MAR-TRE-f5c2d31c-11
0.204
JOH-UNI-9dc98897-9
0.202
BAR-COM-0f94fc3d-33
0.202
MAR-TRE-f5c2d31c-20
0.202
MAR-TRE-f5c2d31c-18
0.202
MAR-TRE-f5c2d31c-36
0.202
ALP-POS-6d04362c-4
0.202
MAR-TRE-6a44bbf2-67
0.200
CHO-MSK-00c5269a-4
0.198
MAR-TRE-f5c2d31c-54
0.198
MAR-TRE-f5c2d31c-19
0.198
MAR-TRE-f5c2d31c-38
0.198
MAR-TRE-f5c2d31c-81
0.198
BAR-COM-4e090d3a-58
0.198
MAR-TRE-f5c2d31c-57
0.196
AAR-POS-d2a4d1df-19
0.196
MAR-TRE-f5c2d31c-85
0.195
ALP-POS-bad7201a-1
0.195
MAR-TRE-f5c2d31c-99
0.195
NAU-LAT-64f4b287-3
0.194
MAR-TRE-f5c2d31c-28
0.193
MAR-TRE-f5c2d31c-74
0.193
MAR-TRE-f5c2d31c-66
0.193
MAR-TRE-f5c2d31c-37
0.193
DAV-UNK-d94803a2-1
0.192
MAR-TRE-f5c2d31c-42
0.191
MAR-TRE-f5c2d31c-70
0.190
MAR-TRE-fd17a9b8-49
0.190
SAD-SAT-f0a2747f-10
0.189
MAR-TRE-f5c2d31c-7
0.189
MAR-TRE-f5c2d31c-43
0.189
MAR-TRE-fd17a9b8-72
0.189
MAR-TRE-fd17a9b8-85
0.189
MAR-TRE-f5c2d31c-13
0.188
MAR-TRE-f5c2d31c-34
0.187
SAD-SAT-7d5528d9-9
0.187
MAR-TRE-dab8f6ea-39
0.187
MAR-TRE-2fd8122f-89
0.187
MAR-TRE-dab8f6ea-13
0.187
MAK-UNK-10dfa458-2
0.187
ALP-POS-c0c213c9-12
0.186
ALP-POS-8ed8d9ec-6
0.186
MAR-TRE-3159af1a-88
0.186
MAR-TRE-9c797165-64
0.186
NIM-UNI-13494739-10
0.186
LON-WEI-5e7d1b3e-76
0.186
LON-WEI-4d77710c-76
0.186
MAR-TRE-dab8f6ea-27
0.186
SAD-SAT-1f400d17-8
0.186
ALP-POS-bad7201a-6
0.185
BOG-INS-bdba9cfb-1
0.185
MAR-TRE-fffca54f-43
0.184
MAR-TRE-f5c2d31c-29
0.184
JOH-UNI-9dc98897-5
0.184
JOH-UNI-9dc98897-10
0.184