Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NCCOCOCCC(=O)Nc4cncc(NC(=O)Cc5cccc(Cl)c5)c4)C3C2=O)C(=O)N1 |
MW: | 664.2 |
Fraction sp3: | 0.34 |
HBA: | 10 |
HBD: | 4 |
Rotatable Bonds: | 14 |
TPSA: | 185.13 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Aliphatic long chain
het-C-het not in ring
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
cycloheximide
Long aliphatic chain
Unbranched chain
glycol
DAR-DIA-9e4459de-10
0.896
DAR-DIA-9e4459de-8
0.754
DAR-DIA-9e4459de-4
0.736
DAR-DIA-9e4459de-5
0.654
DAR-DIA-9e4459de-7
0.638
DAR-DIA-9e4459de-6
0.574
DAR-DIA-9e4459de-3
0.558
DAR-DIA-9e4459de-2
0.455
DAR-DIA-9e4459de-1
0.414
DAR-DIA-9e4459de-18
0.409
DAR-DIA-9e4459de-13
0.408
DAR-DIA-9e4459de-15
0.406
DAR-DIA-9e4459de-11
0.399
DAR-DIA-9e4459de-19
0.399
DAR-DIA-9e4459de-22
0.343
EDG-MED-0da5ad92-12
0.342
MAR-TRE-2fd8122f-3
0.315
JAN-GHE-5a013bed-9
0.311
DAR-DIA-9e4459de-24
0.309
MIC-UNK-d935700b-2
0.308
MIC-UNK-66895286-1
0.306
MIC-UNK-fc94cdb5-1
0.303
MAT-POS-f7918075-7
0.303
RUB-POS-1325a9ea-1
0.303
MAT-POS-199e2e7c-1
0.298
ALP-POS-8b8a49e1-7
0.298
PET-UNK-8df914d1-5
0.297
DAR-DIA-9e4459de-12
0.296
EDG-MED-0da5ad92-2
0.295
ALP-POS-3b848b35-3
0.295
ALP-POS-95b75b4d-5
0.292
MAT-POS-bb423b95-4
0.292
DAR-DIA-9e4459de-20
0.290
DAR-DIA-9e4459de-16
0.287
DAR-DIA-9e4459de-17
0.287
DAR-DIA-9e4459de-14
0.287
EDJ-MED-a364e151-1
0.286
JAN-GHE-f4ca5a00-14
0.285
MAT-POS-90fd5f68-14
0.282
ANN-UNI-98d2bf15-3
0.281
JOH-UNI-abfda500-5
0.281
JIN-POS-6dc588a4-17
0.280
RUB-POS-1325a9ea-12
0.280
ROB-UNI-daaf9793-3
0.280
EDG-MED-0da5ad92-13
0.280
JIN-POS-6dc588a4-10
0.278
JIN-POS-6dc588a4-20
0.277
EDJ-MED-239d8ca5-1
0.277
JIN-POS-6dc588a4-3
0.277
MIC-UNK-8971c93c-1
0.276
MAT-POS-f7918075-4
0.276
BEN-DND-1e24cf73-6
0.275
MAT-POS-90fd5f68-32
0.275
JAN-GHE-f4ca5a00-17
0.275
JIN-POS-6dc588a4-18
0.274
MAT-POS-90fd5f68-39
0.273
BEN-DND-1e24cf73-4
0.273
BEN-DND-1e24cf73-1
0.273
EDJ-MED-50fe53e8-3
0.273
MIC-UNK-f2576da4-1
0.272
MAT-POS-29385cc1-4
0.272
MAT-POS-90fd5f68-27
0.271
JOH-UNI-abfda500-4
0.271
DAR-DIA-9e4459de-23
0.271
PET-UNK-7f7e354d-7
0.271
EDJ-MED-a364e151-3
0.271
JIN-POS-6dc588a4-6
0.271
EDJ-MED-50fe53e8-4
0.271
BEN-DND-02317c5c-9
0.271
JIN-POS-6dc588a4-13
0.271
JIN-POS-6dc588a4-22
0.271
PET-UNK-8df914d1-4
0.270
MAT-POS-90fd5f68-16
0.270
JAN-GHE-f4ca5a00-12
0.269
NAU-LAT-e1818702-1
0.269
DAR-DIA-9e4459de-21
0.269
EDJ-MED-6e43a462-6
0.269
EDJ-MED-c8e7a002-16
0.269
MAT-POS-c20a539d-4
0.268
MAT-POS-90fd5f68-4
0.268
MAT-POS-14ad9fe9-1
0.268
ALP-POS-95b75b4d-6
0.268
JIN-POS-6dc588a4-4
0.267
SAM-UNK-2684b532-12
0.267
MAT-POS-90fd5f68-13
0.267
MAT-POS-90fd5f68-41
0.266
MAT-POS-90fd5f68-8
0.266
PET-UNK-8df914d1-3
0.266
TRY-UNI-714a760b-6
0.266
ADA-UCB-6c2cb422-1
0.265
NAU-LAT-a5c7d7cb-12
0.265
PET-UNK-e44ffd04-1
0.265
BEN-DND-02317c5c-8
0.265
PET-UNK-e274cad4-1
0.265
RUB-POS-1325a9ea-14
0.265
JAN-GHE-5a013bed-5
0.264
MIC-UNK-42806bd5-1
0.264
ALP-POS-90e38439-2
0.264
JAN-GHE-5a013bed-8
0.264
MAT-POS-500ca5bf-2
0.264