Molecular Properties | |
SMILES: | CC[C@H]1CC=C([C@@H](O)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)C(=O)C1 |
MW: | 370.23 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.29 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Ketones
Filter44_michael_acceptor2
Ketone
vinyl michael acceptor1
TRY-UNI-714a760b-6
LON-WEI-adc59df6-8
0.369
NIM-NMI-8bb27a2b-15
0.365
JAN-GHE-76def03c-3
0.364
MAR-TRE-9d18ae8c-57
0.359
JAN-GHE-76def03c-1
0.358
ALE-HEI-f28a35b5-8
0.353
BRU-THA-40a53a3c-1
0.345
NIM-NMI-8bb27a2b-1
0.339
ERI-UCB-fbdd3ea1-5
0.339
LON-WEI-adc59df6-35
0.337
JAN-GHE-d851b096-7
0.336
RAL-MED-9a5eb9cb-15
0.333
MED-UNK-e6e8ef8a-1
0.330
MAK-UNK-f2409524-20
0.320
LON-WEI-adc59df6-14
0.317
ALP-POS-88a7a97e-28
0.315
TRY-UNI-714a760b-11
0.315
ALE-HEI-f28a35b5-7
0.315
NIM-UNI-bb9030bf-10
0.313
ERI-UCB-fbdd3ea1-6
0.309
MAK-UNK-f2409524-27
0.304
MED-UNK-e6e8ef8a-7
0.300
MAK-UNK-f2409524-18
0.298
ALP-POS-88a7a97e-45
0.297
MAK-UNK-f2409524-33
0.296
CLI-TLC-0b41e95c-1
0.294
ASH-UNK-40b46b30-13
0.293
NIM-UNI-bb9030bf-11
0.293
SAN-PRS-52b81272-1
0.292
ERI-UCB-fbdd3ea1-7
0.291
LON-WEI-adc59df6-64
0.291
TRY-UNI-714a760b-16
0.290
AAR-POS-d2a4d1df-13
0.289
FRA-FAC-9ed5a63a-1
0.289
ALE-HEI-f28a35b5-9
0.289
PET-SGC-c429dc17-1
0.287
CES-WAB-18e74d70-1
0.287
MAK-UNK-f2409524-31
0.287
MAK-UNK-f2409524-2
0.286
MAK-UNK-f2409524-32
0.286
MAK-UNK-f2409524-15
0.286
LON-WEI-adc59df6-44
0.286
MAR-TRE-04c86cea-8
0.286
MAK-UNK-f2409524-28
0.284
NIM-NMI-8bb27a2b-17
0.283
MAK-UNK-f2409524-19
0.282
MAR-TRE-c8530538-63
0.281
TRY-UNI-714a760b-7
0.280
NIM-UNI-bb9030bf-12
0.279
ALP-POS-88a7a97e-12
0.277
MAR-LAB-efb042c5-2
0.276
MAK-UNK-f2409524-26
0.276
MAK-UNK-f2409524-21
0.275
ALP-POS-e980f4ea-13
0.275
MAK-UNK-f2409524-16
0.274
CHA-KIN-ceadbd93-3
0.274
MAR-TRE-14ce9fd6-1
0.273
MAR-TRE-c8530538-2
0.272
LON-WEI-adc59df6-93
0.271
ERI-UCB-fbdd3ea1-20
0.270
ZAC-WAB-3baddbb3-1
0.269
ZAC-WAB-d55a3c2e-2
0.269
NIM-UNI-bb9030bf-4
0.269
TRY-UNI-714a760b-10
0.269
ALE-HEI-f28a35b5-6
0.269
EDG-MED-0da5ad92-4
0.269
LON-WEI-adc59df6-75
0.269
BRU-THA-92256091-9
0.268
MAR-TRE-c8530538-18
0.268
MAK-UNK-f2409524-34
0.267
CLI-TLC-0925f3e9-1
0.267
ALP-POS-ced8ea4d-13
0.266
MAD-UNK-1cc096ab-1
0.265
MAD-UNK-4169353f-1
0.265
MAD-UNK-3bd48932-1
0.265
LON-WEI-adc59df6-39
0.265
MAD-UNK-d7ec037c-3
0.265
MAD-UNK-d7ec037c-1
0.265
MAK-UNK-f2409524-30
0.265
ALP-POS-3fc1724e-7
0.265
ALP-POS-e980f4ea-22
0.264
ERI-UCB-fbdd3ea1-19
0.264
LON-WEI-b8d98729-7
0.264
MAK-UNK-f2409524-1
0.264
ALP-POS-e980f4ea-63
0.264
DAR-DIA-03336633-5
0.264
NIM-NMI-8bb27a2b-3
0.264
BEN-DND-031a96cc-6
0.264
NIM-UNI-bb9030bf-6
0.263
ERI-UCB-fbdd3ea1-31
0.263
MAK-UNK-2c1752f0-2
0.263
BAR-COM-4e090d3a-24
0.262
MAR-TRE-3159af1a-49
0.262
MAR-TRE-d0525fbf-74
0.261
HAN-NEW-5f56c3bc-3
0.261
LON-WEI-adc59df6-94
0.261
DAR-DIA-03336633-1
0.261
JOR-UNI-61e7b1d5-21
0.261
NIM-UNI-bb9030bf-5
0.261
ALP-POS-88a7a97e-9
0.261