Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCC(=O)NCCCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2cccnc2)cc1 |
MW: | 761.35 |
Fraction sp3: | 0.36 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 15 |
TPSA: | 183.05 |
cLogP: | 4.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Glutarimides
cycloheximide
Long aliphatic chain
Unbranched chain
Dipeptide
DAR-DIA-9e4459de-29
0.821
DAR-DIA-9e4459de-25
0.771
DAR-DIA-9e4459de-26
0.768
DAR-DIA-9e4459de-28
0.623
DAR-DIA-9e4459de-30
0.617
ALP-POS-02c6a514-53
0.481
ALP-POS-02c6a514-54
0.470
ALP-POS-02c6a514-55
0.464
ALP-POS-02c6a514-57
0.463
ALP-POS-c59291d4-6
0.462
MAT-POS-f2460aef-1
0.460
LON-WEI-2e27a2e5-1
0.460
MAT-POS-f2460aef-2
0.460
ALP-POS-02c6a514-56
0.428
PET-UNK-48ab5cd7-6
0.419
ALP-POS-0c0a3b93-1
0.407
RYA-UNI-c3f66fb2-1
0.389
ALP-POS-305f6ec3-20
0.388
ALP-POS-b0bc6a46-23
0.384
ALP-POS-02c6a514-38
0.384
ALP-POS-88a7a97e-46
0.382
ALP-POS-95f71980-21
0.381
ALP-POS-b0bc6a46-16
0.380
ALP-POS-02c6a514-27
0.380
ALP-POS-305f6ec3-55
0.380
ALP-POS-b0bc6a46-5
0.379
ALP-POS-02c6a514-5
0.379
PET-UNK-48ab5cd7-5
0.377
ALF-EVA-719172df-6
0.377
ALP-POS-02c6a514-39
0.376
ALP-POS-b0bc6a46-24
0.376
ALP-POS-02c6a514-12
0.376
ALP-POS-305f6ec3-49
0.376
ALP-POS-305f6ec3-30
0.375
MIC-UNK-96659df2-6
0.375
PET-UNK-48ab5cd7-2
0.373
ALP-POS-305f6ec3-44
0.373
ALP-POS-305f6ec3-33
0.373
ALP-POS-88a7a97e-4
0.372
ALP-POS-88a7a97e-38
0.372
ALP-POS-305f6ec3-6
0.371
PET-UNK-48ab5cd7-1
0.371
ALP-POS-95f71980-18
0.370
LON-WEI-2e27a2e5-2
0.370
ALP-POS-02c6a514-37
0.369
ALP-POS-b0bc6a46-22
0.369
ALP-POS-88a7a97e-35
0.369
ALP-POS-95f71980-6
0.368
RYA-UNI-f4a878f6-1
0.368
ALP-POS-88a7a97e-16
0.368
ALP-POS-95f71980-4
0.367
ALP-POS-305f6ec3-52
0.366
ALP-POS-305f6ec3-37
0.366
ALP-POS-305f6ec3-28
0.364
MIC-UNK-96659df2-7
0.363
ALP-POS-88a7a97e-28
0.363
ALP-POS-88a7a97e-3
0.363
ALP-POS-88a7a97e-13
0.362
MIC-UNK-96659df2-5
0.362
PET-UNK-48ab5cd7-4
0.362
MAT-POS-f2460aef-3
0.362
MAT-POS-f2460aef-4
0.362
ALP-POS-02c6a514-50
0.362
ALP-POS-95f71980-22
0.362
ALP-POS-02c6a514-17
0.361
ALP-POS-88a7a97e-12
0.361
ALP-POS-88a7a97e-33
0.361
ALP-POS-88a7a97e-10
0.361
ALP-POS-88a7a97e-48
0.360
ALP-POS-88a7a97e-11
0.360
ALP-POS-305f6ec3-2
0.359
ALP-POS-305f6ec3-4
0.359
ALP-POS-305f6ec3-35
0.359
ALP-POS-88a7a97e-45
0.359
ALP-POS-02c6a514-11
0.358
BRU-THA-40a53a3c-1
0.358
ALP-POS-88a7a97e-26
0.358
ALP-POS-305f6ec3-59
0.358
ALP-POS-305f6ec3-38
0.357
ALP-POS-305f6ec3-39
0.357
ALP-POS-305f6ec3-51
0.357
ALP-POS-305f6ec3-18
0.356
ALP-POS-88a7a97e-20
0.356
ALP-POS-88a7a97e-34
0.356
ALP-POS-88a7a97e-39
0.356
ALP-POS-305f6ec3-29
0.355
ALP-POS-88a7a97e-27
0.355
ALP-POS-305f6ec3-27
0.355
ALF-EVA-46063d6e-4
0.355
ALP-POS-02c6a514-18
0.355
ALP-POS-b0bc6a46-11
0.355
ALP-POS-305f6ec3-57
0.355
ALP-POS-88a7a97e-14
0.355
LON-WEI-adc59df6-10
0.354
ALP-POS-88a7a97e-29
0.354
ALP-POS-88a7a97e-32
0.354
ALP-POS-02c6a514-26
0.353
MAT-POS-f2460aef-5
0.353
ALP-POS-02c6a514-25
0.353
ALP-POS-02c6a514-46
0.353