Molecular Properties | |
SMILES: | O=C1CCC(N2CC3C(NCCOCCC(=O)Nc4cncc(NC(=O)Cc5cccc(Cl)c5)c4)=CC=CC3C2=O)C(=O)N1 |
MW: | 620.22 |
Fraction sp3: | 0.35 |
HBA: | 8 |
HBD: | 4 |
Rotatable Bonds: | 12 |
TPSA: | 158.83 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-4
0.897
DAR-DIA-9e4459de-3
0.790
DAR-DIA-9e4459de-10
0.728
DAR-DIA-9e4459de-2
0.667
DAR-DIA-9e4459de-9
0.654
DAR-DIA-9e4459de-1
0.583
DAR-DIA-9e4459de-8
0.582
DAR-DIA-9e4459de-7
0.493
DAR-DIA-9e4459de-24
0.451
DAR-DIA-9e4459de-6
0.438
DAR-DIA-9e4459de-12
0.421
MAR-TRE-2fd8122f-3
0.348
EDG-MED-0da5ad92-12
0.347
DAR-DIA-9e4459de-23
0.341
DAR-DIA-9e4459de-16
0.328
MIC-UNK-66895286-1
0.322
DAR-DIA-9e4459de-14
0.319
JAN-GHE-5a013bed-9
0.316
DAR-DIA-9e4459de-15
0.314
ALP-POS-3b848b35-3
0.310
DAR-DIA-9e4459de-20
0.307
DAR-DIA-9e4459de-11
0.304
DAR-DIA-9e4459de-13
0.304
MAT-POS-90fd5f68-14
0.303
EDG-MED-0da5ad92-2
0.300
DAR-DIA-9e4459de-17
0.298
RUB-POS-1325a9ea-1
0.298
MAT-POS-f7918075-7
0.298
MIC-UNK-fc94cdb5-1
0.298
MAT-POS-90fd5f68-39
0.296
ROB-UNI-daaf9793-3
0.295
DAR-DIA-9e4459de-19
0.294
DAR-DIA-9e4459de-21
0.294
MAK-UNK-ffc90da7-5
0.294
MIC-UNK-d935700b-2
0.292
ALP-POS-8b8a49e1-7
0.292
PET-UNK-8df914d1-5
0.291
MAT-POS-c20a539d-4
0.291
MAT-POS-90fd5f68-41
0.289
MAT-POS-90fd5f68-8
0.288
MAT-POS-90fd5f68-32
0.288
DAR-DIA-9e4459de-18
0.287
TRY-UNI-714a760b-3
0.286
MAT-POS-199e2e7c-1
0.282
MAT-POS-bb423b95-8
0.282
MAT-POS-90fd5f68-16
0.282
EDJ-MED-239d8ca5-1
0.281
RUB-POS-1325a9ea-15
0.280
MAT-POS-f7918075-4
0.280
MIC-UNK-8971c93c-1
0.280
PET-UNK-8df914d1-3
0.280
MAT-POS-90fd5f68-13
0.280
DAR-DIA-9e4459de-26
0.278
MAT-POS-bb423b95-1
0.277
MAT-POS-90fd5f68-38
0.276
MIC-UNK-f2576da4-1
0.276
MAT-POS-90fd5f68-15
0.276
JOH-UNI-abfda500-4
0.276
MAT-POS-29385cc1-1
0.275
PET-UNK-b38839dc-1
0.275
EDJ-MED-a364e151-3
0.275
JIN-POS-6dc588a4-22
0.275
JIN-POS-6dc588a4-13
0.275
RUB-POS-1325a9ea-12
0.275
EDG-MED-0da5ad92-13
0.274
JIN-POS-6dc588a4-12
0.273
EDJ-MED-c8e7a002-16
0.273
DAR-DIA-9e4459de-22
0.272
JIN-POS-6dc588a4-20
0.272
MAT-POS-90fd5f68-4
0.272
MAT-POS-14ad9fe9-1
0.272
DAR-DIA-9e4459de-25
0.272
MAR-TRE-a9136c7b-14
0.271
MAT-POS-f7918075-8
0.271
EDJ-MED-a364e151-1
0.271
PET-UNK-b38839dc-2
0.270
TRY-UNI-714a760b-6
0.270
ADA-UCB-6c2cb422-1
0.269
JAN-GHE-f4ca5a00-14
0.269
MAR-TRE-2fd8122f-41
0.269
PET-UNK-e274cad4-1
0.269
JIN-POS-6dc588a4-18
0.269
MAT-POS-90fd5f68-40
0.269
EDJ-MED-6e43a462-11
0.269
EDJ-MED-6e43a462-12
0.269
RUB-POS-1325a9ea-14
0.269
ALP-POS-90e38439-2
0.268
MIC-UNK-42806bd5-1
0.268
MAT-POS-500ca5bf-2
0.268
DAR-DIA-9e4459de-30
0.268
PET-UNK-d899bab6-2
0.268
ALP-POS-8b8a49e1-8
0.268
MAT-POS-90fd5f68-5
0.268
MAT-POS-90fd5f68-26
0.268
MAT-POS-bb423b95-4
0.267
ALP-POS-95b75b4d-5
0.267
MAK-UNK-ffc90da7-8
0.267
MAT-POS-90fd5f68-37
0.267
EDJ-MED-239d8ca5-2
0.266
MAT-POS-c20a539d-8
0.266