Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@@]2(C(=O)NCCc3cccc(F)c3)COc3cccc4cncc2c34)cc1 |
MW: | 577.24 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 84.67 |
cLogP: | 6.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-8849923c-4
0.743
MIC-UNK-8849923c-3
0.726
MIC-UNK-8849923c-1
0.603
MIC-UNK-8849923c-2
0.583
ALP-POS-02c6a514-32
0.438
PAU-WEI-df8f33bc-1
0.438
MIC-UNK-7c90192e-1
0.436
ALF-EVA-46063d6e-2
0.431
MAT-POS-f2460aef-1
0.419
MAT-POS-f2460aef-2
0.419
LON-WEI-2e27a2e5-1
0.419
PAU-WEI-df8f33bc-2
0.417
ALP-POS-02c6a514-44
0.417
ALP-POS-02c6a514-13
0.415
CHE-UNK-ae827f53-2
0.415
ALF-EVA-719172df-7
0.414
MAT-POS-02ae579f-1
0.413
MIC-UNK-9ffaa625-2
0.407
MIC-UNK-9ffaa625-1
0.406
CHE-UNK-ae827f53-1
0.403
MIC-UNK-7c90192e-2
0.400
ALP-POS-02c6a514-19
0.392
ALP-POS-02c6a514-48
0.373
ALP-POS-02c6a514-9
0.373
ALP-POS-02c6a514-34
0.372
ALP-POS-95f71980-4
0.369
ALF-EVA-46063d6e-1
0.368
ALP-POS-a2344586-1
0.368
ALP-POS-02c6a514-31
0.368
LON-WEI-babf2c61-4
0.367
MIC-UNK-96659df2-4
0.366
ALF-EVA-719172df-3
0.366
ALP-POS-d0876c20-19
0.362
MIC-UNK-96659df2-8
0.362
ALP-POS-d0876c20-17
0.362
LON-WEI-babf2c61-2
0.359
ALP-POS-02c6a514-12
0.359
ALP-POS-d0876c20-5
0.359
MIC-UNK-96659df2-1
0.359
ALP-POS-305f6ec3-1
0.357
PET-UNK-7d68125a-1
0.356
ALP-POS-d0876c20-14
0.356
PET-UNK-48ab5cd7-6
0.356
MIC-UNK-96659df2-5
0.354
MIC-UNK-96659df2-2
0.354
PET-UNK-48ab5cd7-4
0.353
ALP-POS-d0876c20-21
0.353
MAT-POS-f2460aef-3
0.353
ALP-POS-95f71980-25
0.353
MAT-POS-f2460aef-4
0.353
ALP-POS-02c6a514-50
0.353
ALP-POS-02c6a514-17
0.353
ALP-POS-d0876c20-1
0.353
LON-WEI-babf2c61-1
0.351
MIC-UNK-96659df2-3
0.350
MIC-UNK-96659df2-6
0.350
KHR-WEI-75c61062-2
0.350
ALP-POS-02c6a514-11
0.349
LON-POS-586a7c45-1
0.349
LON-WEI-adc59df6-47
0.349
PAU-WEI-5b8d5051-1
0.349
ALP-POS-305f6ec3-49
0.348
ALP-POS-305f6ec3-38
0.348
ALF-EVA-719172df-4
0.348
ALP-POS-305f6ec3-52
0.348
ALP-POS-95f71980-11
0.348
ALP-POS-d0876c20-4
0.347
KHR-WEI-75c61062-1
0.347
PET-UNK-48ab5cd7-3
0.346
MIC-UNK-96659df2-7
0.345
ALP-POS-95f71980-21
0.344
DAR-DIA-48c639f7-9
0.344
ALP-POS-02c6a514-26
0.344
ALP-POS-02c6a514-20
0.343
ALP-POS-b0bc6a46-12
0.343
ALP-POS-02c6a514-5
0.343
ALP-POS-b0bc6a46-5
0.343
ALP-POS-d0876c20-13
0.343
ALP-POS-d0876c20-12
0.343
ALP-POS-d0876c20-24
0.343
LON-WEI-2e27a2e5-2
0.341
DAR-DIA-48c639f7-10
0.341
ALP-POS-95f71980-17
0.341
ALP-POS-02c6a514-37
0.341
ALP-POS-b0bc6a46-22
0.341
PET-UNK-48ab5cd7-5
0.341
ALP-POS-95f71980-6
0.341
DAR-DIA-48c639f7-15
0.341
ALP-POS-95f71980-23
0.341
PAU-WEI-ca14c437-1
0.341
LON-WEI-babf2c61-3
0.341
ALP-POS-d0876c20-10
0.341
DAR-DIA-48c639f7-11
0.341
ALP-POS-d0876c20-7
0.341
ALF-EVA-719172df-1
0.341
ALP-POS-305f6ec3-5
0.340
ALF-EVA-719172df-6
0.338
PAU-WEI-5b8d5051-2
0.338
ALP-POS-305f6ec3-59
0.338
ALP-POS-02c6a514-52
0.338