Molecular Properties | |
SMILES: | O=C1CCC(N2CC3C(NCCOCOCCC(=O)Nc4cncc(NC(=O)Cc5cccc(Cl)c5)c4)=CC=CC3C2=O)C(=O)N1 |
MW: | 650.23 |
Fraction sp3: | 0.38 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 14 |
TPSA: | 168.06 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Aliphatic long chain
het-C-het not in ring
phthalimide
Enamines
Glutarimides
cycloheximide
Long aliphatic chain
Unbranched chain
glycol
DAR-DIA-9e4459de-5
0.897
DAR-DIA-9e4459de-3
0.764
DAR-DIA-9e4459de-9
0.736
DAR-DIA-9e4459de-10
0.654
DAR-DIA-9e4459de-2
0.624
DAR-DIA-9e4459de-1
0.566
DAR-DIA-9e4459de-8
0.565
DAR-DIA-9e4459de-7
0.462
DAR-DIA-9e4459de-24
0.440
DAR-DIA-9e4459de-6
0.427
DAR-DIA-9e4459de-12
0.403
MAR-TRE-2fd8122f-3
0.348
DAR-DIA-9e4459de-23
0.341
EDG-MED-0da5ad92-12
0.336
DAR-DIA-9e4459de-16
0.320
DAR-DIA-9e4459de-20
0.315
DAR-DIA-9e4459de-14
0.312
MIC-UNK-66895286-1
0.311
DAR-DIA-9e4459de-15
0.307
JAN-GHE-5a013bed-9
0.306
DAR-DIA-9e4459de-17
0.306
DAR-DIA-9e4459de-19
0.302
ALP-POS-3b848b35-3
0.300
DAR-DIA-9e4459de-13
0.297
MAT-POS-90fd5f68-14
0.295
DAR-DIA-9e4459de-21
0.294
DAR-DIA-9e4459de-18
0.294
ALP-POS-8b8a49e1-7
0.293
PET-UNK-8df914d1-5
0.292
DAR-DIA-9e4459de-11
0.291
EDG-MED-0da5ad92-2
0.290
MAT-POS-f7918075-7
0.289
RUB-POS-1325a9ea-1
0.289
MIC-UNK-fc94cdb5-1
0.288
ROB-UNI-daaf9793-3
0.286
MAK-UNK-ffc90da7-5
0.286
MIC-UNK-d935700b-2
0.284
MAT-POS-199e2e7c-1
0.284
MAT-POS-c20a539d-4
0.283
MAT-POS-90fd5f68-32
0.280
MAT-POS-90fd5f68-8
0.280
MAT-POS-90fd5f68-39
0.279
TRY-UNI-714a760b-3
0.277
EDJ-MED-a364e151-3
0.276
EDG-MED-0da5ad92-13
0.276
MAT-POS-90fd5f68-16
0.275
EDJ-MED-239d8ca5-1
0.273
JIN-POS-6dc588a4-20
0.273
DAR-DIA-9e4459de-22
0.273
MAT-POS-90fd5f68-13
0.272
MAR-TRE-a9136c7b-14
0.272
EDJ-MED-a364e151-1
0.272
RUB-POS-1325a9ea-15
0.272
MAT-POS-f7918075-4
0.272
MIC-UNK-8971c93c-1
0.272
MAT-POS-90fd5f68-41
0.271
PET-UNK-8df914d1-3
0.271
JAN-GHE-f4ca5a00-14
0.271
JIN-POS-6dc588a4-18
0.270
EDJ-MED-6e43a462-11
0.270
MAT-POS-bb423b95-1
0.269
MAT-POS-90fd5f68-15
0.268
MAT-POS-90fd5f68-38
0.268
MIC-UNK-f2576da4-1
0.268
PET-UNK-b38839dc-1
0.268
MAT-POS-29385cc1-1
0.268
JOH-UNI-abfda500-5
0.267
ANN-UNI-98d2bf15-3
0.267
PET-UNK-7f7e354d-7
0.267
JIN-POS-6dc588a4-22
0.267
JIN-POS-6dc588a4-17
0.267
JIN-POS-6dc588a4-13
0.267
RUB-POS-1325a9ea-12
0.267
PET-UNK-8df914d1-4
0.266
JAN-GHE-f4ca5a00-12
0.265
NAU-LAT-e1818702-1
0.265
DAR-DIA-9e4459de-26
0.265
EDJ-MED-c8e7a002-16
0.265
JIN-POS-6dc588a4-12
0.265
EDJ-MED-076d6e64-1
0.265
EDJ-MED-6e43a462-6
0.265
JIN-POS-6dc588a4-10
0.265
MAT-POS-14ad9fe9-1
0.264
MAT-POS-90fd5f68-4
0.264
EDJ-MED-976da9a6-1
0.264
MAK-UNK-ffc90da7-9
0.264
MIC-UNK-13557a72-1
0.264
JIN-POS-6dc588a4-3
0.263
JIN-POS-6dc588a4-11
0.263
MAT-POS-f7918075-8
0.263
BEN-DND-1e24cf73-6
0.262
PET-UNK-b38839dc-2
0.262
MAR-TRE-2fd8122f-41
0.262
TRY-UNI-714a760b-6
0.262
ADA-UCB-6c2cb422-1
0.261
EDJ-MED-6e43a462-12
0.261
RUB-POS-1325a9ea-14
0.261
MAT-POS-90fd5f68-40
0.261
PET-UNK-e274cad4-1
0.261
BEN-DND-1e24cf73-4
0.261