Molecular Properties | |
SMILES: | O=C1CCC(N2CC3C(NCCOCCOCCNC(=O)c4ccncc4NC(=O)Cc4cccc(Cl)c4)=CC=CC3C2=O)C(=O)N1 |
MW: | 664.24 |
Fraction sp3: | 0.39 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 15 |
TPSA: | 168.06 |
cLogP: | 1.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-1
0.802
DAR-DIA-9e4459de-7
0.737
DAR-DIA-9e4459de-5
0.667
DAR-DIA-9e4459de-4
0.624
DAR-DIA-9e4459de-6
0.599
DAR-DIA-9e4459de-3
0.583
DAR-DIA-9e4459de-24
0.522
DAR-DIA-9e4459de-10
0.487
DAR-DIA-9e4459de-9
0.455
DAR-DIA-9e4459de-8
0.431
DAR-DIA-9e4459de-12
0.420
DAR-DIA-9e4459de-23
0.391
ANN-UNI-98d2bf15-3
0.374
JOH-UNI-abfda500-5
0.374
JOH-UNI-abfda500-4
0.374
DAR-DIA-9e4459de-17
0.345
JIN-POS-6dc588a4-6
0.338
MAT-POS-bb423b95-5
0.336
DAR-DIA-9e4459de-21
0.333
DAR-DIA-9e4459de-20
0.331
MAR-TRE-2fd8122f-3
0.331
ALP-POS-95b75b4d-5
0.331
MAT-POS-bb423b95-4
0.331
SAM-UNK-2684b532-13
0.331
ALP-POS-95b75b4d-8
0.331
DAR-DIA-9e4459de-18
0.326
JIN-POS-6dc588a4-3
0.326
TRY-UNI-714a760b-6
0.325
ALP-POS-95b75b4d-7
0.323
DAR-DIA-9e4459de-14
0.321
DAR-DIA-9e4459de-22
0.318
ALP-POS-95b75b4d-6
0.317
DAR-DIA-9e4459de-26
0.317
SAM-UNK-2684b532-12
0.315
JIN-POS-6dc588a4-4
0.315
SAM-UNK-2684b532-11
0.315
RUB-POS-1325a9ea-19
0.315
DAR-DIA-9e4459de-16
0.315
DAR-DIA-9e4459de-30
0.315
DAR-DIA-9e4459de-11
0.314
MAT-POS-f7918075-7
0.311
RUB-POS-1325a9ea-1
0.311
MAT-POS-bb423b95-1
0.311
DAR-DIA-9e4459de-25
0.310
JIN-POS-6dc588a4-13
0.308
MAK-UNK-6ca90168-23
0.308
DAR-DIA-9e4459de-28
0.308
MAT-POS-90fd5f68-14
0.307
DAR-DIA-9e4459de-13
0.306
MIC-UNK-d935700b-2
0.306
MAT-POS-f7918075-5
0.306
DAR-DIA-9e4459de-19
0.304
MAT-POS-14ad9fe9-1
0.304
MAT-POS-bb423b95-9
0.301
MAT-POS-90fd5f68-8
0.301
MAT-POS-90fd5f68-32
0.300
TRY-UNI-714a760b-3
0.300
ALP-POS-0c2c77e1-1
0.299
MAT-POS-bb423b95-3
0.299
EDJ-MED-239d8ca5-1
0.295
JIN-POS-6dc588a4-20
0.295
PET-UNK-8df914d1-3
0.295
MAT-POS-f7918075-4
0.294
MIC-UNK-8971c93c-1
0.294
RUB-POS-1325a9ea-15
0.294
MAT-POS-f7918075-8
0.294
WIL-MOD-03b86a88-1
0.294
TRY-UNI-2eddb1ff-7
0.294
BRU-LEF-c49414a7-1
0.293
RAL-THA-901e9a10-7
0.293
PET-UNK-b38839dc-2
0.293
JAN-GHE-5a013bed-10
0.291
MAT-POS-90fd5f68-39
0.291
MAT-POS-90fd5f68-26
0.290
JIN-POS-6dc588a4-22
0.289
RUB-POS-1325a9ea-12
0.289
PET-UNK-e274cad4-6
0.289
EDJ-MED-a364e151-3
0.289
EDJ-MED-239d8ca5-2
0.289
MAK-UNK-ffc90da7-5
0.289
DAR-DIA-9e4459de-15
0.288
JIN-POS-6dc588a4-12
0.287
EDJ-MED-c8e7a002-16
0.287
PET-UNK-b1ef24dc-4
0.287
EDJ-MED-076d6e64-1
0.287
MAT-POS-199e2e7c-1
0.287
RUB-POS-1325a9ea-5
0.287
PET-UNK-b1ef24dc-3
0.287
MAT-POS-c20a539d-4
0.286
MAT-POS-90fd5f68-16
0.286
EDJ-MED-a364e151-1
0.285
RUB-POS-1325a9ea-8
0.285
MAT-POS-f7918075-3
0.285
MIC-UNK-08cd9c58-1
0.285
MAT-POS-90fd5f68-41
0.284
MIC-UNK-4fbd4db9-6
0.283
MIC-UNK-9dc9fcd1-2
0.283
JIN-POS-6dc588a4-18
0.283
RUB-POS-1325a9ea-14
0.283
PET-UNK-e274cad4-1
0.283