Molecular Properties | |
SMILES: | O=C1CCC(N2CC3C(NCCCCCC(=O)Nc4cncc(NC(=O)Cc5cccc(Cl)c5)c4)=CC=CC3C2=O)C(=O)N1 |
MW: | 618.24 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 12 |
TPSA: | 149.6 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-5
0.790
DAR-DIA-9e4459de-4
0.764
DAR-DIA-9e4459de-8
0.725
DAR-DIA-9e4459de-1
0.667
DAR-DIA-9e4459de-2
0.583
DAR-DIA-9e4459de-10
0.575
DAR-DIA-9e4459de-9
0.558
DAR-DIA-9e4459de-6
0.493
DAR-DIA-9e4459de-7
0.431
DAR-DIA-9e4459de-12
0.417
DAR-DIA-9e4459de-24
0.394
EDG-MED-0da5ad92-12
0.363
MAR-TRE-2fd8122f-3
0.361
DAR-DIA-9e4459de-16
0.345
DAR-DIA-9e4459de-15
0.339
JAN-GHE-5a013bed-9
0.330
RUB-POS-1325a9ea-1
0.320
MAT-POS-f7918075-7
0.320
DAR-DIA-9e4459de-23
0.320
DAR-DIA-9e4459de-20
0.316
EDG-MED-0da5ad92-2
0.313
MIC-UNK-66895286-1
0.313
DAR-DIA-9e4459de-14
0.313
ALP-POS-3b848b35-3
0.311
DAR-DIA-9e4459de-19
0.310
MIC-UNK-fc94cdb5-1
0.310
ROB-UNI-daaf9793-3
0.306
DAR-DIA-9e4459de-13
0.305
MAK-UNK-ffc90da7-5
0.304
JIN-POS-6dc588a4-12
0.304
MIC-UNK-d935700b-2
0.304
MAT-POS-199e2e7c-1
0.304
PET-UNK-8df914d1-5
0.303
MAT-POS-f7918075-4
0.302
MIC-UNK-8971c93c-1
0.302
MAT-POS-90fd5f68-8
0.299
DAR-DIA-9e4459de-11
0.298
TRY-UNI-714a760b-3
0.298
RUB-POS-1325a9ea-13
0.296
EDJ-MED-a364e151-3
0.296
MAT-POS-90fd5f68-14
0.296
EDJ-MED-c8e7a002-16
0.294
ALP-POS-8b8a49e1-7
0.293
EDJ-MED-239d8ca5-1
0.292
MAT-POS-c20a539d-4
0.292
PET-UNK-8df914d1-3
0.292
EDJ-MED-a364e151-1
0.291
JAN-GHE-f4ca5a00-14
0.290
MAT-POS-bb423b95-1
0.288
ALP-POS-95b75b4d-5
0.288
MAT-POS-bb423b95-4
0.288
MAT-POS-90fd5f68-39
0.288
MAT-POS-90fd5f68-38
0.287
MIC-UNK-f2576da4-1
0.287
JIN-POS-6dc588a4-22
0.286
DAR-DIA-9e4459de-29
0.286
JIN-POS-6dc588a4-13
0.286
RUB-POS-1325a9ea-12
0.286
PET-UNK-e274cad4-6
0.286
EDG-MED-0da5ad92-13
0.286
MAT-POS-90fd5f68-1
0.285
JAN-GHE-f4ca5a00-12
0.285
NAU-LAT-e1818702-1
0.285
DAR-DIA-9e4459de-17
0.284
MAT-POS-90fd5f68-16
0.283
EDJ-MED-976da9a6-1
0.282
JIN-POS-6dc588a4-20
0.282
JAN-GHE-f4ca5a00-16
0.282
RUB-POS-1325a9ea-15
0.281
EDJ-MED-a364e151-2
0.281
MAT-POS-f7918075-8
0.281
TRY-UNI-714a760b-6
0.281
MAT-POS-90fd5f68-41
0.280
ADA-UCB-6c2cb422-1
0.280
MAK-UNK-ffc90da7-9
0.280
DAR-DIA-9e4459de-18
0.280
MAT-POS-90fd5f68-32
0.280
MAT-POS-500ca5bf-2
0.280
ALP-POS-90e38439-2
0.280
MIC-UNK-42806bd5-1
0.280
JAN-GHE-5a013bed-8
0.280
EDJ-MED-6e43a462-11
0.279
RUB-POS-1325a9ea-14
0.279
MAT-POS-90fd5f68-40
0.279
PET-UNK-e274cad4-1
0.279
ALP-POS-8b8a49e1-8
0.279
MAR-TRE-2fd8122f-41
0.279
PET-UNK-d899bab6-2
0.278
BEN-DND-1e24cf73-1
0.278
MAT-POS-90fd5f68-26
0.277
MAT-POS-90fd5f68-5
0.277
JAN-GHE-5a013bed-10
0.277
MAT-POS-90fd5f68-37
0.277
MAT-POS-90fd5f68-15
0.277
JOH-UNI-abfda500-5
0.276
ANN-UNI-98d2bf15-3
0.276
JOH-UNI-abfda500-4
0.276
MAT-POS-90fd5f68-3
0.276
PET-UNK-b38839dc-1
0.276
MAT-POS-29385cc1-1
0.276