Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NCCOCCC(=O)Nc4cncc(NC(=O)Cc5cccc(Cl)c5)c4)C3C2=O)C(=O)N1 |
MW: | 634.19 |
Fraction sp3: | 0.32 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 12 |
TPSA: | 175.9 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-9
0.896
DAR-DIA-9e4459de-8
0.780
DAR-DIA-9e4459de-5
0.728
DAR-DIA-9e4459de-7
0.682
DAR-DIA-9e4459de-4
0.654
DAR-DIA-9e4459de-6
0.591
DAR-DIA-9e4459de-3
0.575
DAR-DIA-9e4459de-2
0.487
DAR-DIA-9e4459de-1
0.425
DAR-DIA-9e4459de-13
0.418
DAR-DIA-9e4459de-11
0.417
DAR-DIA-9e4459de-15
0.416
DAR-DIA-9e4459de-18
0.401
DAR-DIA-9e4459de-19
0.392
EDG-MED-0da5ad92-12
0.353
DAR-DIA-9e4459de-22
0.343
JAN-GHE-5a013bed-9
0.322
MIC-UNK-d935700b-2
0.317
DAR-DIA-9e4459de-24
0.316
MIC-UNK-66895286-1
0.316
MAR-TRE-2fd8122f-3
0.314
MIC-UNK-fc94cdb5-1
0.314
RUB-POS-1325a9ea-1
0.312
MAT-POS-f7918075-7
0.312
DAR-DIA-9e4459de-12
0.310
EDG-MED-0da5ad92-2
0.305
ALP-POS-3b848b35-3
0.304
ALP-POS-95b75b4d-5
0.302
MAT-POS-bb423b95-4
0.302
MAT-POS-199e2e7c-1
0.297
ALP-POS-8b8a49e1-7
0.297
PET-UNK-8df914d1-5
0.296
DAR-DIA-9e4459de-16
0.294
DAR-DIA-9e4459de-14
0.293
MAT-POS-90fd5f68-39
0.291
JOH-UNI-abfda500-4
0.290
MAT-POS-90fd5f68-14
0.290
RUB-POS-1325a9ea-12
0.289
ROB-UNI-daaf9793-3
0.289
EDJ-MED-239d8ca5-1
0.286
MIC-UNK-8971c93c-1
0.285
MAT-POS-f7918075-4
0.285
EDJ-MED-a364e151-1
0.285
MAT-POS-90fd5f68-41
0.284
JAN-GHE-f4ca5a00-14
0.283
JAN-GHE-f4ca5a00-17
0.283
MAT-POS-90fd5f68-32
0.283
DAR-DIA-9e4459de-20
0.282
MIC-UNK-f2576da4-1
0.280
MAT-POS-29385cc1-4
0.280
ANN-UNI-98d2bf15-3
0.280
JOH-UNI-abfda500-5
0.280
DAR-DIA-9e4459de-17
0.279
EDJ-MED-50fe53e8-4
0.279
JIN-POS-6dc588a4-13
0.279
JIN-POS-6dc588a4-22
0.279
JIN-POS-6dc588a4-6
0.279
BEN-DND-02317c5c-9
0.279
EDG-MED-0da5ad92-13
0.279
MAT-POS-90fd5f68-16
0.277
MAT-POS-bb423b95-8
0.277
ROB-UNI-daaf9793-2
0.277
NAU-LAT-a5c7d7cb-14
0.277
JIN-POS-6dc588a4-10
0.277
EDJ-MED-c8e7a002-16
0.277
ALP-POS-95b75b4d-6
0.276
MAT-POS-14ad9fe9-1
0.276
JIN-POS-6dc588a4-20
0.276
MAT-POS-c20a539d-4
0.276
MAT-POS-90fd5f68-4
0.276
SAM-UNK-2684b532-12
0.276
JIN-POS-6dc588a4-3
0.276
JIN-POS-6dc588a4-4
0.276
MIC-UNK-7574fcc6-1
0.275
MAT-POS-90fd5f68-13
0.275
PET-UNK-8df914d1-3
0.274
TRY-UNI-714a760b-6
0.274
PET-UNK-e44ffd04-1
0.273
ALP-POS-95b75b4d-7
0.273
BEN-DND-02317c5c-8
0.273
NAU-LAT-a5c7d7cb-12
0.273
ADA-UCB-6c2cb422-1
0.273
MAT-POS-90fd5f68-8
0.273
MAT-POS-500ca5bf-2
0.273
MIC-UNK-42806bd5-1
0.273
PET-UNK-e274cad4-1
0.273
RUB-POS-1325a9ea-14
0.273
ALP-POS-90e38439-2
0.273
JIN-POS-6dc588a4-18
0.273
MAT-POS-90fd5f68-5
0.271
MAT-POS-90fd5f68-26
0.271
MAT-POS-bb423b95-9
0.271
MAT-POS-bb423b95-1
0.271
JIN-POS-6dc588a4-7
0.271
JIN-POS-6dc588a4-9
0.271
BEN-DND-1e24cf73-1
0.271
MAK-UNK-ffc90da7-5
0.271
MAT-POS-90fd5f68-15
0.271
MAT-POS-90fd5f68-38
0.271
JAN-GHE-5a013bed-10
0.270