Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1-c1ccccc1)C(C(=O)NCCc1cccc(F)c1)c1cnccc1C |
MW: | 549.28 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 62.3 |
cLogP: | 7.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
MIC-UNK-96659df2-3
0.585
DAR-DIA-48c639f7-11
0.584
DAR-DIA-48c639f7-15
0.570
PAU-WEI-df8f33bc-2
0.561
ALP-POS-02c6a514-44
0.561
MIC-UNK-96659df2-4
0.561
MIC-UNK-96659df2-2
0.556
DAR-DIA-48c639f7-12
0.556
DAR-DIA-48c639f7-1
0.556
DAR-DIA-48c639f7-9
0.554
DAR-DIA-48c639f7-10
0.549
MIC-UNK-96659df2-1
0.548
DAR-DIA-48c639f7-16
0.542
DAR-DIA-48c639f7-18
0.542
ALF-EVA-46063d6e-1
0.525
ALF-EVA-719172df-2
0.525
ALF-EVA-719172df-3
0.521
ALF-EVA-719172df-5
0.517
ALP-POS-d0876c20-1
0.517
DAR-DIA-48c639f7-2
0.512
ALF-EVA-719172df-1
0.512
DAR-DIA-48c639f7-14
0.512
MAT-POS-c0143b99-1
0.509
DAR-DIA-48c639f7-13
0.504
DAR-DIA-48c639f7-17
0.496
ALP-POS-780445ae-3
0.488
DAR-DIA-48c639f7-6
0.484
DAR-DIA-48c639f7-8
0.484
PAU-WEI-5b8d5051-1
0.483
LON-POS-586a7c45-1
0.483
LON-WEI-adc59df6-47
0.483
DAR-DIA-48c639f7-7
0.480
DAR-DIA-48c639f7-4
0.472
LON-WEI-babf2c61-10
0.471
LON-WEI-babf2c61-2
0.470
DAR-DIA-48c639f7-5
0.469
LON-WEI-babf2c61-9
0.466
CHE-UNK-ae827f53-1
0.465
ALF-EVA-46063d6e-4
0.463
DAR-DIA-48c639f7-3
0.462
MIC-UNK-9ffaa625-1
0.457
ALF-EVA-46063d6e-6
0.456
LON-WEI-babf2c61-6
0.454
ALF-EVA-46063d6e-3
0.452
LON-WEI-babf2c61-13
0.446
LON-WEI-babf2c61-1
0.446
MIC-UNK-9ffaa625-2
0.446
ALP-POS-02c6a514-11
0.445
ALF-EVA-719172df-7
0.444
LON-WEI-babf2c61-4
0.442
ALF-EVA-719172df-4
0.440
ALF-EVA-46063d6e-2
0.438
LON-WEI-babf2c61-11
0.435
LON-WEI-babf2c61-8
0.434
MIC-UNK-96659df2-7
0.434
LON-WEI-babf2c61-5
0.431
LON-WEI-babf2c61-12
0.431
ALF-EVA-46063d6e-7
0.423
LON-WEI-babf2c61-3
0.421
MIC-UNK-96659df2-8
0.418
MIC-UNK-96659df2-6
0.415
ALP-POS-02c6a514-26
0.415
MAT-POS-f2460aef-1
0.415
LON-WEI-2e27a2e5-1
0.415
MAT-POS-f2460aef-2
0.415
LON-WEI-2e27a2e5-2
0.413
PET-UNK-48ab5cd7-4
0.413
PET-UNK-7d68125a-2
0.411
LON-WEI-babf2c61-14
0.411
ALP-POS-02c6a514-13
0.411
MIC-UNK-96659df2-5
0.409
MAT-POS-02ae579f-1
0.408
LON-WEI-babf2c61-7
0.406
ALP-POS-305f6ec3-44
0.405
ALP-POS-95f71980-21
0.403
PET-UNK-7d68125a-4
0.403
ALP-POS-02c6a514-6
0.402
ALP-POS-305f6ec3-6
0.402
PAU-WEI-df8f33bc-1
0.402
ALP-POS-02c6a514-32
0.402
PET-UNK-7d68125a-3
0.400
ALP-POS-95f71980-2
0.400
ALP-POS-95f71980-17
0.400
ALP-POS-305f6ec3-20
0.400
ALP-POS-95f71980-23
0.398
PAU-WEI-5b8d5051-2
0.398
JOE-NOR-4e4adc6b-1
0.397
ALP-POS-02c6a514-52
0.397
ALP-POS-305f6ec3-51
0.394
PET-UNK-48ab5cd7-3
0.394
PET-UNK-48ab5cd7-6
0.392
ALP-POS-02c6a514-49
0.391
MAT-POS-f2460aef-5
0.391
ALP-POS-b0bc6a46-12
0.391
ALP-POS-02c6a514-20
0.391
ALP-POS-02c6a514-25
0.391
ALP-UNI-c3ef0aba-3
0.391
PET-UNK-48ab5cd7-1
0.391
MAT-POS-f2460aef-3
0.391
DAR-DIA-2b784ede-38
0.390