Molecular Properties | |
SMILES: | C#CC(=O)c1ccc(S(N)(=O)=O)c2cc(CN)n(CN3CCC(O)CC3)c12 |
MW: | 390.465 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 131.65 |
cLogP: | -0.0225 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
activated_acetylene
Michael acceptor
triple bond
Filter43_michael_acceptor_sp1
Ketone
Dye 22
alkynyl michael acceptor2
triple_bond
HAR-NEW-e34cb1ae-8
0.352
MAK-UNK-1cb0e944-10
0.267
MAK-UNK-5e88aa6a-9
0.267
MAK-UNK-1cb0e944-7
0.267
TRY-UNI-1fd04853-4
0.265
PET-SGC-908c18f3-1
0.257
MAK-UNK-1cb0e944-12
0.250
DUN-NEW-f8ce3686-11
0.236
HAR-NEW-e34cb1ae-6
0.235
MAR-UNI-9d4da90d-6
0.234
CES-WAB-18e74d70-2
0.229
MAR-UNI-9d4da90d-5
0.228
MAK-UNK-1cb0e944-11
0.226
SAM-UNK-903735bd-1
0.224
CAM-STU-3ef21e73-1
0.223
MAK-UNK-1cb0e944-3
0.223
MAK-UNK-5e88aa6a-5
0.223
MAK-UNK-1cb0e944-13
0.223
WIL-NOV-649f4ed0-2
0.223
DRV-UNK-64047f27-5
0.223
DRV-UNK-dd7f8c68-4
0.223
SAM-UNK-2684b532-10
0.222
MAK-UNK-5e88aa6a-4
0.221
MAK-UNK-1cb0e944-2
0.221
MAK-UNK-e4a48a85-18
0.221
MAK-UNK-acefcb18-25
0.221
MAK-UNK-1cb0e944-6
0.220
MAK-UNK-5e88aa6a-8
0.220
WIL-NOV-649f4ed0-1
0.219
LIZ-THE-d3ff4653-2
0.218
MAK-UNK-5e88aa6a-10
0.218
MAK-UNK-1cb0e944-5
0.218
WAR-XCH-b6889685-8
0.217
WIL-NOV-066c4001-1
0.216
MAK-UNK-5e88aa6a-6
0.216
MAK-UNK-1cb0e944-1
0.216
SAD-SAT-f25ee457-4
0.216
NAU-LAT-42d4957e-3
0.216
MAK-UNK-e4a48a85-17
0.215
MAK-UNK-1cb0e944-9
0.213
WAR-XCH-b72a1bbc-20
0.213
WIL-LEE-23e8b574-5
0.213
WAR-XCH-b72a1bbc-19
0.211
AAR-POS-d2a4d1df-7
0.209
JOR-UNI-61e7b1d5-5
0.209
MAK-UNK-1cb0e944-4
0.208
MAK-UNK-5e88aa6a-7
0.208
WAR-XCH-b6889685-13
0.208
SAM-UNK-83e03154-1
0.207
WAR-XCH-b72a1bbc-26
0.207
WAR-XCH-b72a1bbc-14
0.207
SEL-UNI-cd366922-5
0.206
WAR-XCH-b6889685-21
0.206
JAN-GHE-1d98ec1c-4
0.206
MAK-UNK-acefcb18-24
0.205
WAR-XCH-72a8c209-14
0.205
JOR-UNI-61e7b1d5-24
0.205
MAK-UNK-5e88aa6a-12
0.205
MAK-UNK-acefcb18-27
0.204
WAR-XCH-b72a1bbc-5
0.202
BEN-DND-76ad4ac9-6
0.202
PET-SGC-39d74636-2
0.202
JAN-UNI-2e92c4b1-3
0.202
WAR-XCH-b6889685-32
0.202
WAR-XCH-72a8c209-13
0.202
JOR-UNI-61e7b1d5-25
0.202
BEN-DND-362d364a-11
0.200
WAR-XCH-b6889685-9
0.200
MAK-UNK-31051d4e-3
0.200
WAR-XCH-b72a1bbc-30
0.200
MAK-UNK-1cb0e944-8
0.200
MAK-UNK-e4a48a85-9
0.200
WIL-NOV-649f4ed0-4
0.200
WIL-NOV-649f4ed0-5
0.200
MAK-UNK-31051d4e-2
0.200
HEI-REL-0c990a45-3
0.200
MAK-UNK-acefcb18-23
0.198
WAR-XCH-b6889685-46
0.198
HEN-UNK-30ca0e4e-1
0.197
JOR-UNI-61e7b1d5-6
0.197
ASH-UNK-40b46b30-8
0.196
MAK-UNK-69bf97dd-4
0.196
MAK-UNK-5e88aa6a-3
0.196
MAK-UNK-acefcb18-20
0.196
WAR-XCH-b6889685-12
0.196
WAR-XCH-b6889685-11
0.196
HAN-UNI-e165996f-1
0.196
MAK-UNK-e4a48a85-11
0.196
WAR-XCH-b72a1bbc-11
0.196
MAK-UNK-e4a48a85-7
0.195
JOR-UNI-2fc98d0b-3
0.195
MAK-UNK-e4a48a85-6
0.194
JAN-GHE-1d98ec1c-3
0.194
WAR-XCH-b72a1bbc-21
0.194
WAR-XCH-b72a1bbc-10
0.194
WIL-NOV-649f4ed0-3
0.194
WAR-XCH-b72a1bbc-25
0.193
DRV-UNK-dd7f8c68-2
0.193
DRV-UNK-64047f27-2
0.193
MAK-UNK-acefcb18-22
0.193