Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)/C=C/C(F)(F)F)c1ccc(C(C)(C)C)cc1 |
MW: | 541.24 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 6.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Filter3_allyl_halide
high halogen content (>3)
Long aliphatic chain
vinyl michael acceptor1
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-16
0.802
DAR-DIA-48c639f7-12
0.802
DAR-DIA-48c639f7-18
0.802
DAR-DIA-48c639f7-11
0.771
DAR-DIA-48c639f7-14
0.748
DAR-DIA-48c639f7-13
0.733
DAR-DIA-48c639f7-9
0.719
DAR-DIA-48c639f7-10
0.711
PAU-WEI-df8f33bc-2
0.707
ALP-POS-02c6a514-44
0.707
ALF-EVA-719172df-5
0.680
ALF-EVA-719172df-2
0.676
ALF-EVA-719172df-3
0.670
ALP-POS-d0876c20-1
0.663
ALF-EVA-719172df-1
0.657
ALF-EVA-46063d6e-1
0.598
LON-POS-586a7c45-1
0.598
LON-WEI-adc59df6-47
0.598
PAU-WEI-5b8d5051-1
0.598
ALF-EVA-46063d6e-4
0.585
MIC-UNK-9ffaa625-1
0.571
DAR-DIA-2b784ede-54
0.570
ALF-EVA-46063d6e-3
0.569
ALF-EVA-719172df-4
0.569
LON-WEI-babf2c61-2
0.567
LON-WEI-babf2c61-4
0.562
MIC-UNK-96659df2-3
0.561
DAR-DIA-48c639f7-1
0.559
ALF-EVA-46063d6e-6
0.559
ALF-EVA-46063d6e-2
0.557
MIC-UNK-9ffaa625-2
0.557
DAR-DIA-48c639f7-2
0.554
CHE-UNK-ae827f53-1
0.553
MIC-UNK-96659df2-4
0.551
DAR-DIA-48c639f7-17
0.550
DAR-DIA-48c639f7-6
0.548
LON-WEI-babf2c61-9
0.547
MIC-UNK-96659df2-2
0.546
PET-UNK-7d68125a-4
0.542
MIC-UNK-96659df2-1
0.537
ALF-EVA-46063d6e-7
0.537
LON-WEI-babf2c61-1
0.537
DAR-DIA-48c639f7-8
0.535
DAR-DIA-48c639f7-4
0.534
ALP-POS-02c6a514-52
0.532
ALF-EVA-719172df-7
0.532
DAR-DIA-48c639f7-7
0.530
DAR-DIA-48c639f7-5
0.530
LON-WEI-2e27a2e5-2
0.528
MAT-POS-f2460aef-1
0.528
ALP-POS-02c6a514-26
0.528
ALP-POS-95f71980-21
0.528
LON-WEI-2e27a2e5-1
0.528
MAT-POS-f2460aef-2
0.528
ALP-POS-305f6ec3-44
0.527
ALP-POS-780445ae-3
0.526
PAU-WEI-5b8d5051-2
0.523
ALP-POS-02c6a514-11
0.523
PET-UNK-7d68125a-2
0.523
PET-UNK-7d68125a-3
0.523
LON-WEI-babf2c61-8
0.523
ALP-UNI-c3ef0aba-3
0.523
ALP-POS-305f6ec3-6
0.523
MAT-POS-f2460aef-4
0.523
LON-WEI-babf2c61-6
0.519
JOE-NOR-4e4adc6b-1
0.518
ALP-POS-02c6a514-12
0.518
ALP-POS-305f6ec3-59
0.518
ALP-POS-95f71980-23
0.518
LON-WEI-babf2c61-3
0.518
ALP-POS-02c6a514-13
0.518
PET-UNK-48ab5cd7-2
0.514
ALP-POS-305f6ec3-52
0.513
ALP-POS-95f71980-2
0.509
ALP-POS-95f71980-17
0.509
MAT-POS-c0143b99-1
0.509
ALP-POS-02c6a514-25
0.509
ALP-POS-02c6a514-46
0.509
ALP-POS-02c6a514-49
0.509
ALP-POS-305f6ec3-14
0.509
PET-UNK-48ab5cd7-1
0.509
ALP-POS-95f71980-22
0.509
MAT-POS-f2460aef-3
0.509
MAT-POS-f2460aef-5
0.509
DAR-DIA-48c639f7-3
0.508
ALP-POS-305f6ec3-49
0.505
ALP-POS-95f71980-4
0.505
ALP-POS-305f6ec3-2
0.504
ALP-POS-95f71980-6
0.504
ALP-POS-305f6ec3-20
0.504
PET-UNK-48ab5cd7-3
0.500
ALP-POS-305f6ec3-39
0.500
PET-UNK-7d68125a-1
0.500
ALP-POS-305f6ec3-38
0.500
ALP-POS-305f6ec3-46
0.500
ALP-POS-02c6a514-22
0.500
ALP-POS-305f6ec3-27
0.500
ALP-POS-305f6ec3-41
0.500
ALP-POS-305f6ec3-28
0.496
ALP-POS-305f6ec3-33
0.496