Molecular Properties | |
SMILES: | COC(=O)/C=C/C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cnccc1C |
MW: | 531.25 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 88.6 |
cLogP: | 4.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
Long aliphatic chain
vinyl michael acceptor1
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-12
0.814
DAR-DIA-48c639f7-15
0.802
DAR-DIA-48c639f7-16
0.796
DAR-DIA-48c639f7-11
0.747
DAR-DIA-48c639f7-14
0.726
DAR-DIA-48c639f7-13
0.713
DAR-DIA-48c639f7-9
0.697
DAR-DIA-48c639f7-10
0.690
ALF-EVA-719172df-2
0.673
PAU-WEI-df8f33bc-2
0.670
ALP-POS-02c6a514-44
0.670
ALF-EVA-719172df-3
0.651
ALF-EVA-719172df-5
0.645
ALP-POS-d0876c20-1
0.645
ALF-EVA-719172df-1
0.639
LON-POS-586a7c45-1
0.581
PAU-WEI-5b8d5051-1
0.581
LON-WEI-adc59df6-47
0.581
ALF-EVA-46063d6e-4
0.555
ALF-EVA-719172df-4
0.554
ALF-EVA-46063d6e-1
0.554
ALF-EVA-46063d6e-3
0.554
MIC-UNK-9ffaa625-1
0.543
DAR-DIA-2b784ede-54
0.542
PET-UNK-7d68125a-4
0.541
ALP-POS-305f6ec3-44
0.541
CHE-UNK-ae827f53-1
0.538
LON-WEI-babf2c61-2
0.537
ALP-POS-02c6a514-25
0.536
MIC-UNK-96659df2-3
0.534
LON-WEI-babf2c61-4
0.532
JOE-NOR-4e4adc6b-1
0.532
ALP-POS-02c6a514-52
0.532
ALP-POS-02c6a514-13
0.530
DAR-DIA-48c639f7-1
0.530
ALF-EVA-46063d6e-6
0.530
MIC-UNK-9ffaa625-2
0.529
LON-WEI-2e27a2e5-2
0.528
ALP-POS-02c6a514-26
0.527
ALP-POS-95f71980-21
0.527
ALF-EVA-46063d6e-2
0.527
DAR-DIA-48c639f7-2
0.526
ALP-POS-02c6a514-11
0.523
PAU-WEI-5b8d5051-2
0.523
MAT-POS-f2460aef-5
0.522
DAR-DIA-48c639f7-17
0.522
DAR-DIA-48c639f7-8
0.521
DAR-DIA-48c639f7-4
0.521
LON-WEI-babf2c61-9
0.518
ALP-POS-305f6ec3-59
0.518
ALP-POS-02c6a514-12
0.518
ALP-POS-02c6a514-40
0.517
MAT-POS-f2460aef-2
0.514
MAT-POS-f2460aef-1
0.514
LON-WEI-2e27a2e5-1
0.514
PET-UNK-48ab5cd7-2
0.513
ALP-POS-305f6ec3-52
0.513
ALP-POS-780445ae-3
0.513
MIC-UNK-96659df2-4
0.512
MIC-UNK-96659df2-1
0.512
ALP-POS-95f71980-17
0.509
PET-UNK-7d68125a-2
0.509
PET-UNK-7d68125a-3
0.509
ALF-EVA-46063d6e-7
0.509
ALP-POS-95f71980-2
0.509
LON-WEI-babf2c61-1
0.509
MAT-POS-f2460aef-3
0.509
MAT-POS-f2460aef-4
0.509
ALP-POS-305f6ec3-6
0.509
ALP-POS-02c6a514-49
0.509
ALP-POS-95f71980-24
0.509
ALP-UNI-c3ef0aba-3
0.509
ALP-POS-305f6ec3-14
0.509
ALP-POS-305f6ec3-33
0.509
DAR-DIA-48c639f7-6
0.508
ALP-POS-305f6ec3-9
0.508
MIC-UNK-96659df2-2
0.508
ALP-POS-95f71980-4
0.504
ALP-POS-305f6ec3-49
0.504
ALP-POS-95f71980-23
0.504
ALP-POS-02c6a514-33
0.504
ALF-EVA-719172df-7
0.504
ALP-POS-95f71980-6
0.504
LON-WEI-babf2c61-3
0.504
DAR-DIA-48c639f7-7
0.504
ALP-POS-305f6ec3-36
0.504
PET-UNK-7d68125a-1
0.500
ALP-POS-305f6ec3-27
0.500
ALP-POS-305f6ec3-46
0.500
ALP-POS-02c6a514-22
0.500
ALP-POS-305f6ec3-41
0.500
PET-UNK-48ab5cd7-3
0.500
ALP-POS-305f6ec3-39
0.500
ALP-POS-305f6ec3-23
0.500
ALP-POS-02c6a514-46
0.496
ALP-POS-02c6a514-50
0.496
ALP-POS-305f6ec3-48
0.496
ALP-POS-305f6ec3-55
0.496
PET-UNK-48ab5cd7-1
0.496
ALP-POS-95f71980-22
0.496