Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NCCOCCOCCNC(=O)c4ccncc4NC(=O)Cc4cccc(Cl)c4)C3C2=O)C(=O)N1 |
MW: | 678.22 |
Fraction sp3: | 0.36 |
HBA: | 10 |
HBD: | 4 |
Rotatable Bonds: | 15 |
TPSA: | 185.13 |
cLogP: | 1.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-6
0.794
DAR-DIA-9e4459de-2
0.737
DAR-DIA-9e4459de-10
0.682
DAR-DIA-9e4459de-9
0.638
DAR-DIA-9e4459de-1
0.592
DAR-DIA-9e4459de-8
0.591
DAR-DIA-9e4459de-5
0.493
DAR-DIA-9e4459de-4
0.462
DAR-DIA-9e4459de-18
0.451
DAR-DIA-9e4459de-3
0.431
DAR-DIA-9e4459de-11
0.430
DAR-DIA-9e4459de-13
0.424
DAR-DIA-9e4459de-19
0.414
DAR-DIA-9e4459de-15
0.396
DAR-DIA-9e4459de-22
0.391
DAR-DIA-9e4459de-24
0.377
ANN-UNI-98d2bf15-3
0.377
JOH-UNI-abfda500-5
0.377
JOH-UNI-abfda500-4
0.377
ALP-POS-95b75b4d-5
0.354
MAT-POS-bb423b95-4
0.354
JIN-POS-6dc588a4-6
0.341
RUB-POS-1325a9ea-1
0.333
MAT-POS-f7918075-7
0.333
MIC-UNK-d935700b-2
0.328
JIN-POS-6dc588a4-3
0.328
ALP-POS-95b75b4d-7
0.326
DAR-DIA-9e4459de-12
0.324
DAR-DIA-9e4459de-17
0.324
SAM-UNK-2684b532-13
0.323
ALP-POS-95b75b4d-8
0.323
ALP-POS-95b75b4d-6
0.320
SAM-UNK-2684b532-12
0.318
JIN-POS-6dc588a4-4
0.318
MAT-POS-bb423b95-5
0.318
RUB-POS-1325a9ea-19
0.318
TRY-UNI-714a760b-6
0.317
MAT-POS-14ad9fe9-1
0.316
DAR-DIA-9e4459de-23
0.315
MAT-POS-bb423b95-1
0.313
MAT-POS-bb423b95-9
0.313
MAT-POS-90fd5f68-32
0.311
ALP-POS-0c2c77e1-1
0.311
MAT-POS-bb423b95-3
0.311
JIN-POS-6dc588a4-13
0.311
RUB-POS-1325a9ea-12
0.311
MAK-UNK-6ca90168-23
0.310
MAT-POS-90fd5f68-14
0.309
DAR-DIA-9e4459de-14
0.309
MAT-POS-f7918075-5
0.308
MAT-POS-199e2e7c-1
0.308
SAM-UNK-2684b532-11
0.308
EDJ-MED-239d8ca5-1
0.307
JIN-POS-6dc588a4-20
0.307
MAT-POS-f7918075-4
0.306
MIC-UNK-8971c93c-1
0.306
EDJ-MED-a364e151-1
0.306
DAR-DIA-9e4459de-21
0.306
DAR-DIA-9e4459de-20
0.304
JAN-GHE-5a013bed-10
0.304
MAT-POS-29385cc1-4
0.301
JIN-POS-6dc588a4-22
0.301
PET-UNK-e274cad4-6
0.301
MAT-POS-90fd5f68-26
0.301
EDJ-MED-239d8ca5-2
0.300
JIN-POS-6dc588a4-10
0.299
PET-UNK-b1ef24dc-3
0.299
MAR-TRE-2fd8122f-3
0.297
PET-UNK-8df914d1-3
0.297
MAT-POS-f7918075-8
0.296
MIC-UNK-7574fcc6-1
0.296
MAT-POS-90fd5f68-16
0.296
MAT-POS-90fd5f68-34
0.296
PET-UNK-b38839dc-2
0.295
RUB-POS-1325a9ea-14
0.294
PET-UNK-e274cad4-1
0.294
MAT-POS-90fd5f68-8
0.294
MIC-UNK-fc94cdb5-1
0.294
MAT-POS-90fd5f68-39
0.293
TRY-UNI-714a760b-3
0.292
MIC-UNK-f2576da4-1
0.292
EDJ-MED-a364e151-3
0.291
PET-UNK-7f7e354d-7
0.291
MAT-POS-90fd5f68-27
0.291
DAR-DIA-9e4459de-26
0.290
JIN-POS-6dc588a4-12
0.289
JIN-POS-6dc588a4-14
0.289
RUB-POS-1325a9ea-2
0.289
PET-UNK-b1ef24dc-4
0.289
EDJ-MED-c8e7a002-16
0.289
RUB-POS-1325a9ea-5
0.289
MIC-UNK-50cce87d-1
0.289
MAT-POS-bb423b95-2
0.289
EDJ-MED-c5ca5386-1
0.289
DAR-DIA-9e4459de-16
0.288
EDJ-MED-976da9a6-2
0.288
EDJ-MED-c5ca5386-2
0.288
MAT-POS-90fd5f68-31
0.288
RUB-POS-1325a9ea-8
0.287
RUB-POS-1325a9ea-15
0.287