Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NCCCCCC(=O)Nc4cncc(NC(=O)Cc5cccc(Cl)c5)c4)C3C2=O)C(=O)N1 |
MW: | 632.22 |
Fraction sp3: | 0.34 |
HBA: | 8 |
HBD: | 4 |
Rotatable Bonds: | 12 |
TPSA: | 166.67 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-10
0.780
DAR-DIA-9e4459de-9
0.754
DAR-DIA-9e4459de-3
0.725
DAR-DIA-9e4459de-6
0.685
DAR-DIA-9e4459de-7
0.591
DAR-DIA-9e4459de-5
0.582
DAR-DIA-9e4459de-4
0.565
DAR-DIA-9e4459de-1
0.486
DAR-DIA-9e4459de-15
0.436
DAR-DIA-9e4459de-2
0.431
DAR-DIA-9e4459de-13
0.411
DAR-DIA-9e4459de-19
0.410
DAR-DIA-9e4459de-11
0.401
DAR-DIA-9e4459de-18
0.394
EDG-MED-0da5ad92-12
0.366
JAN-GHE-5a013bed-9
0.333
MAT-POS-f7918075-7
0.333
RUB-POS-1325a9ea-1
0.333
MIC-UNK-d935700b-2
0.328
MIC-UNK-fc94cdb5-1
0.325
MAR-TRE-2fd8122f-3
0.324
MAT-POS-bb423b95-4
0.322
ALP-POS-95b75b4d-5
0.322
DAR-DIA-9e4459de-22
0.320
MAT-POS-199e2e7c-1
0.317
EDG-MED-0da5ad92-2
0.316
ALP-POS-3b848b35-3
0.314
PET-UNK-8df914d1-5
0.306
MIC-UNK-66895286-1
0.304
MAT-POS-f7918075-4
0.304
MIC-UNK-8971c93c-1
0.304
EDJ-MED-a364e151-1
0.304
JAN-GHE-f4ca5a00-14
0.303
JAN-GHE-f4ca5a00-17
0.303
DAR-DIA-9e4459de-12
0.302
DAR-DIA-9e4459de-16
0.301
ROB-UNI-daaf9793-3
0.298
RUB-POS-1325a9ea-12
0.298
JIN-POS-6dc588a4-12
0.296
EDJ-MED-c8e7a002-16
0.296
ALP-POS-8b8a49e1-7
0.296
EDJ-MED-239d8ca5-1
0.295
MAT-POS-90fd5f68-8
0.291
BEN-DND-1e24cf73-1
0.290
ANN-UNI-98d2bf15-3
0.289
JOH-UNI-abfda500-5
0.289
JOH-UNI-abfda500-4
0.289
MIC-UNK-f2576da4-1
0.289
DAR-DIA-9e4459de-20
0.288
EDG-MED-0da5ad92-13
0.288
RUB-POS-1325a9ea-13
0.288
JIN-POS-6dc588a4-22
0.288
JIN-POS-6dc588a4-13
0.288
PET-UNK-e274cad4-6
0.288
EDJ-MED-a364e151-3
0.288
MAK-UNK-ffc90da7-5
0.288
NAU-LAT-e1818702-1
0.287
JAN-GHE-f4ca5a00-12
0.287
JIN-POS-6dc588a4-10
0.286
JIN-POS-6dc588a4-20
0.285
JAN-GHE-f4ca5a00-16
0.285
TRY-UNI-714a760b-6
0.283
PET-UNK-8df914d1-3
0.283
ADA-UCB-6c2cb422-1
0.282
ALP-POS-90e38439-2
0.282
MIC-UNK-42806bd5-1
0.282
MAT-POS-500ca5bf-2
0.282
JAN-GHE-5a013bed-8
0.282
RUB-POS-1325a9ea-14
0.281
PET-UNK-e274cad4-1
0.281
MAT-POS-90fd5f68-39
0.280
MAT-POS-bb423b95-9
0.280
MAT-POS-bb423b95-1
0.280
MAT-POS-90fd5f68-14
0.280
JAN-GHE-5a013bed-10
0.280
MAT-POS-90fd5f68-26
0.279
DAR-DIA-9e4459de-24
0.279
MAT-POS-90fd5f68-38
0.279
TRY-UNI-714a760b-3
0.279
DAR-DIA-9e4459de-14
0.279
EDJ-MED-239d8ca5-2
0.278
MAT-POS-90fd5f68-27
0.278
MAT-POS-e1b5ac6b-1
0.278
PET-UNK-7f7e354d-7
0.278
JIN-POS-6dc588a4-6
0.278
EDJ-MED-50fe53e8-4
0.278
BEN-DND-02317c5c-9
0.278
ROB-UNI-daaf9793-1
0.278
SAM-UNK-2684b532-13
0.277
EDG-MED-0da5ad92-21
0.277
ALP-POS-95b75b4d-8
0.277
PET-UNK-8df914d1-4
0.277
MAT-POS-90fd5f68-1
0.277
MAK-UNK-6ca90168-23
0.276
MAT-POS-90fd5f68-16
0.276
JIN-POS-6dc588a4-14
0.276
PET-UNK-b1ef24dc-4
0.276
EDJ-MED-6e43a462-6
0.276
NAU-LAT-a5c7d7cb-14
0.276
ROB-UNI-daaf9793-2
0.276