Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1NC(C=O)NC(=O)NC1CCCCC1 |
MW: | 333.392 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 112.22 |
cLogP: | 1.6088 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
non_ring_acetal
aldehyde
het-C-het not in ring
Aldehydes
Filter38_aldehyde
acyclic N-C-N
aldehyde
aldehyde
Aldehyde
geminal_amines
MAK-UNK-f2409524-20
0.481
TRY-UNI-714a760b-11
0.473
ALE-HEI-f28a35b5-7
0.473
MAK-UNK-f2409524-31
0.456
MAK-UNK-f2409524-15
0.443
CES-WAB-18e74d70-1
0.435
PET-SGC-c429dc17-1
0.435
MAK-UNK-f2409524-18
0.427
MAK-UNK-f2409524-22
0.415
MAK-UNK-f2409524-21
0.409
MAK-UNK-f2409524-33
0.404
MAK-UNK-f2409524-2
0.396
MAK-UNK-f2409524-27
0.389
MAK-UNK-f2409524-16
0.388
TRY-UNI-714a760b-7
0.388
MAK-UNK-f2409524-34
0.376
MAK-UNK-f2409524-32
0.374
ALE-HEI-f28a35b5-8
0.372
MAK-UNK-f2409524-17
0.370
MAK-UNK-f2409524-28
0.361
MAK-UNK-f2409524-36
0.355
DAR-DIA-03336633-5
0.351
MAK-UNK-f2409524-30
0.346
AAR-POS-d2a4d1df-12
0.346
NAU-LAT-3f5f3993-2
0.345
LON-WEI-af038623-1
0.344
MAK-UNK-f2409524-26
0.340
MAK-UNK-f2409524-1
0.340
DAR-DIA-03336633-1
0.333
HAN-NEW-5f56c3bc-3
0.333
TRY-UNI-714a760b-16
0.333
DAR-DIA-03336633-7
0.330
CHA-KIN-ceadbd93-3
0.329
DAR-DIA-03336633-6
0.327
ALE-HEI-f28a35b5-6
0.325
EDG-MED-0da5ad92-4
0.325
TRY-UNI-714a760b-10
0.325
DOU-UNK-b5326f8f-3
0.323
CHA-KIN-ceadbd93-2
0.318
DAR-DIA-03336633-4
0.315
DAR-DIA-03336633-3
0.311
DAR-DIA-03336633-2
0.310
MAK-UNK-f2409524-24
0.310
MAK-UNK-6435e6c2-8
0.310
AAR-POS-d2a4d1df-3
0.310
MAK-UNK-f2409524-35
0.308
DAR-DIA-03336633-12
0.308
MAK-UNK-f2409524-3
0.304
MAK-UNK-f2409524-23
0.304
MAK-UNK-f2409524-7
0.303
MAT-POS-590ac91e-19
0.301
ZAC-WAB-b0242612-1
0.300
MAT-POS-590ac91e-7
0.298
DAR-DIA-03336633-13
0.297
BEN-DND-6de5dfa0-14
0.297
MAK-UNK-f2409524-14
0.293
JAN-GHE-76def03c-3
0.290
ERI-UCB-fbdd3ea1-5
0.290
NIM-NMI-8bb27a2b-1
0.290
MAK-UNK-f2409524-25
0.290
MAK-UNK-6ca90168-27
0.289
AAR-UNI-c25c2f1e-3
0.287
MAK-UNK-f2409524-37
0.286
BAR-COM-0f94fc3d-59
0.284
MAT-POS-590ac91e-5
0.282
JOH-IMS-d6628593-2
0.282
NAM-UNK-f7c77a48-2
0.282
MAK-UNK-f2409524-6
0.282
MAT-POS-590ac91e-13
0.280
JAN-GHE-83b26c96-2
0.280
MAT-POS-590ac91e-22
0.279
LON-WEI-adc59df6-8
0.279
LON-WEI-5e7d1b3e-27
0.278
CHA-KIN-ceadbd93-6
0.278
LON-WEI-4d77710c-27
0.278
JAN-GHE-d851b096-7
0.275
BEN-DND-6de5dfa0-10
0.273
ALP-POS-3fc1724e-7
0.273
MAR-TRE-b77b7921-35
0.271
MIC-UNK-2744a8e2-3
0.269
PET-SGC-f913cec9-2
0.269
MED-UNK-e6e8ef8a-1
0.267
MAK-UNK-f2409524-13
0.267
MAK-UNK-b2c98f02-2
0.267
MAT-POS-590ac91e-14
0.267
PET-SGC-a9e9d4f4-1
0.266
ALE-HEI-f28a35b5-12
0.265
MAT-POS-590ac91e-23
0.264
NIM-NMI-8bb27a2b-15
0.264
EDG-MED-0da5ad92-9
0.264
SAD-SAT-7d5528d9-35
0.262
WIL-UNI-5578df48-10
0.261
MAT-POS-590ac91e-4
0.261
BRU-THA-40a53a3c-1
0.261
JAN-GHE-76def03c-1
0.261
MAR-TRE-74c6519b-57
0.261
MAR-LAB-efb042c5-2
0.260
MAT-POS-590ac91e-2
0.259
ERI-UCB-fbdd3ea1-6
0.259
MAT-POS-590ac91e-1
0.259