Molecular Properties | |
SMILES: | CC#CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 |
MW: | 288.372 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 49.41 |
cLogP: | 1.8374 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z2013366253 |
Enamine Extended REAL: | s_22____2335534____9296322 |
activated_acetylene
triple bond
Filter43_michael_acceptor_sp1
alkynyl michael acceptor1
JOO-IND-6372a4f3-1
0.631
AAR-POS-d2a4d1df-38
0.621
JOO-IND-6372a4f3-2
0.603
MAK-UNK-987948f6-7
0.358
MAK-UNK-987948f6-6
0.345
JOO-IND-9269dfbd-1
0.340
NIR-THE-ed286faa-1
0.330
JOO-IND-9269dfbd-2
0.317
NIR-THE-ed286faa-2
0.315
IND-SYN-6c8299e8-9
0.313
AAR-UNI-c25c2f1e-30
0.309
MED-COV-4280ac29-14
0.289
LON-WEI-120e5cf5-19
0.279
MAK-UNK-129dcd6f-9
0.278
MAK-UNK-6ca90168-15
0.273
MAK-UNK-10dfa458-22
0.268
WIL-LEE-23e8b574-8
0.267
SAD-SAT-89668ff1-2
0.267
MAK-UNK-9159f8ed-6
0.266
MAK-UNK-1e8f9e3c-1
0.266
SAD-SAT-1f400d17-10
0.265
MAK-UNK-c8c8f7e2-24
0.265
MAK-UNK-9159f8ed-5
0.263
MAK-UNK-c8c8f7e2-43
0.263
GIA-UNK-995df016-15
0.262
MAK-UNK-c8c8f7e2-21
0.259
MAK-UNK-c8c8f7e2-16
0.256
ASH-SAT-43770c7d-1
0.256
LON-WEI-4d77710c-6
0.256
LON-WEI-5e7d1b3e-6
0.256
MAK-UNK-009ebe36-2
0.255
MAK-UNK-1e8f9e3c-3
0.255
MAK-UNK-902cc841-11
0.255
MAK-UNK-10dfa458-25
0.255
MAK-UNK-6435e6c2-4
0.253
LON-WEI-b8d98729-4
0.250
MAK-UNK-9159f8ed-2
0.250
MAK-UNK-c8c8f7e2-30
0.250
MAK-UNK-7a704a63-12
0.250
WAR-XCH-bdd24732-3
0.250
MAK-UNK-c8c8f7e2-22
0.250
JAN-GHE-1d98ec1c-7
0.250
MAK-UNK-7a704a63-8
0.250
MAK-UNK-c8c8f7e2-15
0.250
MAK-UNK-c8c8f7e2-28
0.250
MAK-UNK-c8c8f7e2-14
0.250
MAK-UNK-7a704a63-2
0.250
MAK-UNK-c8c8f7e2-26
0.250
MAK-UNK-7a704a63-13
0.250
MAK-UNK-7a704a63-14
0.250
DAN-MCD-0742953f-1
0.248
MAK-UNK-902cc841-13
0.248
MAK-UNK-902cc841-12
0.247
BEN-DND-6de5dfa0-2
0.247
BEN-DND-09b88bf4-1
0.247
MAK-UNK-7a704a63-15
0.247
WEI-UNI-64684f14-1
0.247
MAK-UNK-c8c8f7e2-23
0.247
MAK-UNK-c8c8f7e2-17
0.247
MAK-UNK-c8c8f7e2-13
0.247
MAK-UNK-c8c8f7e2-27
0.247
MAK-UNK-7a704a63-3
0.247
MAK-UNK-10dfa458-24
0.245
MAR-TRE-fd17a9b8-63
0.244
MAK-UNK-c8c8f7e2-18
0.244
ZAC-WAB-0847d168-1
0.244
MAK-UNK-c8c8f7e2-42
0.244
MAK-UNK-9159f8ed-1
0.243
MAK-UNK-902cc841-3
0.242
ASH-SAT-43770c7d-10
0.241
MAK-UNK-9159f8ed-4
0.240
AAR-POS-0daf6b7e-31
0.240
MAK-UNK-902cc841-14
0.240
MAK-UNK-6435e6c2-7
0.240
MAR-TRE-6a44bbf2-3
0.239
MAK-UNK-7a704a63-9
0.238
MAK-UNK-10dfa458-3
0.238
CAR-INS-33b3c115-2
0.238
MAK-UNK-c8c8f7e2-19
0.237
MAK-UNK-7a704a63-1
0.237
SAD-SAT-135344c3-7
0.237
CHR-SOS-7098f804-8
0.237
MAR-TRE-799db12b-39
0.236
ALE-SYG-bac15da4-2
0.236
AHN-SAT-de2502ba-6
0.235
MAR-TRE-6a44bbf2-43
0.235
SWA-SYN-d2e6fa14-10
0.235
IND-SYN-6c8299e8-8
0.235
SWA-SYN-6423ea73-9
0.235
MAK-UNK-c8c8f7e2-29
0.235
CAR-INS-33b3c115-1
0.235
JAG-UCB-ef2c0e8e-2
0.235
MAK-UNK-90d0606b-8
0.234
MAR-TRE-3e4e6814-63
0.234
MAK-UNK-c8c8f7e2-25
0.233
MAK-UNK-1e8f9e3c-2
0.232
WEI-UNI-64684f14-4
0.232
KEI-TRE-d5e2018a-22
0.232
MAK-UNK-10dfa458-32
0.231
DAR-DIA-0cde14eb-5
0.231