Molecular Properties | |
SMILES: | CC/C=C(\C(=O)CC1CCCC(C(F)F)C1O)c1cncc2ccccc12 |
MW: | 373.19 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 50.19 |
cLogP: | 5.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Ketones
Filter44_michael_acceptor2
Ketone
vinyl michael acceptor1
Michael acceptor 6
MAK-UNK-c749d764-24
0.522
MAK-UNK-c749d764-28
0.516
MAK-UNK-c749d764-10
0.516
MAK-UNK-c749d764-16
0.511
MAK-UNK-c749d764-8
0.506
MAK-UNK-c749d764-19
0.505
MAK-UNK-c749d764-33
0.505
MAK-UNK-c749d764-20
0.505
MAK-UNK-c749d764-18
0.505
MAK-UNK-c749d764-5
0.500
MAK-UNK-c749d764-25
0.495
MAK-UNK-c749d764-21
0.490
MAK-UNK-c749d764-29
0.479
MAK-UNK-c749d764-15
0.449
MAK-UNK-c749d764-3
0.448
MAK-UNK-c749d764-2
0.396
MAK-UNK-c749d764-4
0.378
MAK-UNK-c749d764-12
0.367
MAK-UNK-ffc90da7-2
0.367
MAK-UNK-c749d764-1
0.347
MAK-UNK-c749d764-26
0.337
MIC-UNK-c5a20098-2
0.327
MIC-UNK-c5a20098-3
0.318
UNK-UNK-2ede4078-104
0.317
MAT-POS-91829f0d-1
0.314
MAR-UCB-f313ec4d-2
0.314
ERI-UCB-d6de1f3c-7
0.303
MAR-UCB-f313ec4d-6
0.302
MIC-UNK-c5a20098-1
0.301
ALP-POS-76eab5ce-2
0.293
MAT-POS-54c4bf04-3
0.291
MIC-UNK-a28eba03-4
0.289
MIC-UNK-b9827f26-1
0.287
VLA-UNK-58704097-1
0.287
ERI-UCB-d6de1f3c-5
0.287
FRA-DIA-a1f3a927-1
0.286
NIR-WEI-acbd6416-2
0.286
WEN-TEX-0031cf67-1
0.282
MAT-POS-54c4bf04-2
0.282
MAK-UNK-919546f0-5
0.281
ALF-EVA-a24cc7ce-7
0.280
MIC-UNK-a28eba03-3
0.277
ALF-EVA-a24cc7ce-6
0.277
MIC-UNK-cdc2493e-1
0.277
ROB-UNI-8bf7c232-1
0.277
DAR-DIA-23aa0b97-20
0.277
RAL-THA-2d450e86-1
0.277
ERI-UCB-d6de1f3c-6
0.276
MAK-UNK-ffc90da7-4
0.276
MAK-UNK-c749d764-22
0.276
RAL-THA-2d450e86-16
0.276
MAT-POS-281d2ee9-1
0.275
MIC-UNK-02d7a284-3
0.275
NIR-WEI-75ed5c39-1
0.274
MIC-UNK-16ccb665-3
0.274
EDJ-MED-e4b030d8-6
0.274
LON-WEI-af038623-3
0.273
MAT-POS-1f3f1a6f-4
0.273
MAK-UNK-6ca90168-25
0.272
MAK-UNK-c749d764-11
0.272
MIC-UNK-b9827f26-2
0.271
MIC-UNK-02d7a284-2
0.270
DAR-DIA-5ff57136-1
0.269
DAR-DIA-5ff57136-2
0.269
ALF-EVA-ced740bd-4
0.269
MAK-UNK-f481d203-4
0.268
MIC-UNK-a28eba03-2
0.268
MAK-UNK-919546f0-2
0.268
MAK-UNK-f481d203-3
0.268
MIC-UNK-bcd487e9-3
0.268
VLA-UNK-b9c208fe-2
0.267
EDJ-MED-139368ae-2
0.267
CYN-UNK-c04ce8cb-1
0.267
MAT-POS-1f3f1a6f-2
0.267
MIC-UNK-5d22d78d-2
0.266
DAR-DIA-0cde14eb-57
0.266
MAT-POS-8a69d52e-5
0.265
MAT-POS-8a69d52e-6
0.265
EDJ-MED-e4b030d8-11
0.265
MAT-POS-8a69d52e-4
0.265
BRU-THA-01b12488-1
0.265
ADA-UCB-dc2b944c-13
0.265
MAT-POS-8a69d52e-7
0.265
MIC-UNK-b9827f26-3
0.265
ADA-UCB-dc2b944c-14
0.265
ALP-POS-3b848b35-4
0.265
EDJ-MED-54fbebd8-1
0.265
MIC-UNK-c66144cb-3
0.265
MAT-POS-fce787c2-3
0.265
ERI-UCB-d6de1f3c-2
0.264
MIC-UNK-5a93dd5f-1
0.263
MAK-UNK-ffc90da7-7
0.263
MIC-UNK-b9827f26-5
0.263
EDJ-MED-ee07cf00-4
0.263
DAR-DIA-6a508060-11
0.263
MAT-POS-fce787c2-2
0.263
DAR-DIA-0d514e7d-4
0.262
MIC-UNK-25b9c114-1
0.262
MIC-UNK-a28eba03-1
0.262
JOH-UNI-3fc3434e-7
0.261