Molecular Properties | |
SMILES: | CN(C=O)CC(=O)Nc1cncc2ccccc12 |
MW: | 243.1 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 1.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
Filter38_aldehyde
aldehyde
formate_formide
VLA-UCB-1dbca3b4-15
RAL-THA-2d450e86-1
0.554
RAL-THA-2d450e86-3
0.552
LON-WEI-af038623-3
0.550
MAK-UNK-919546f0-4
0.545
RAL-THA-2d450e86-38
0.544
RAL-THA-2d450e86-4
0.529
RAL-THA-2d450e86-2
0.522
RAL-THA-2d450e86-37
0.522
RAL-THA-2d450e86-7
0.522
RAL-THA-2d450e86-36
0.522
NIR-THE-d08c3b48-1
0.521
VLA-UCB-05e51b3f-1
0.521
ALP-POS-6747fa38-1
0.521
BEN-DND-6de5dfa0-11
0.521
NAU-LAT-a5c7d7cb-1
0.521
RAL-THA-2d450e86-33
0.521
MAT-POS-afd4d4fd-1
0.521
RAL-THA-2d450e86-20
0.521
RAL-THA-2d450e86-16
0.514
RAL-THA-2d450e86-35
0.514
MAT-POS-fce787c2-2
0.514
RAL-THA-2d450e86-30
0.514
MAT-POS-afd4d4fd-3
0.514
RAL-THA-2d450e86-13
0.514
RAL-THA-2d450e86-39
0.514
RAL-THA-2d450e86-11
0.514
NAU-LAT-2fed8305-5
0.507
MAR-UCB-f313ec4d-3
0.507
NAU-LAT-2fed8305-6
0.500
RAL-THA-2d450e86-5
0.500
RAL-THA-2d450e86-22
0.500
RAL-THA-2d450e86-32
0.500
NAU-LAT-2fed8305-9
0.500
BEN-DND-d1eb1f41-6
0.500
MAT-POS-23a8a11a-1
0.500
RAL-THA-2d450e86-19
0.500
RAL-THA-2d450e86-27
0.500
RAL-THA-2d450e86-10
0.500
ADA-UCB-6c2cb422-1
0.500
MAK-UNK-c749d764-2
0.494
RAL-THA-2d450e86-8
0.493
RAL-THA-2d450e86-15
0.493
RAL-THA-2d450e86-40
0.493
VLA-UNK-b9c208fe-2
0.493
PET-UNK-c9c1e0d8-1
0.493
RAL-THA-2d450e86-34
0.493
MAT-POS-afd4d4fd-2
0.493
MAK-UNK-c749d764-4
0.487
MAT-POS-fce787c2-1
0.487
PET-UNK-bb7ffe78-1
0.487
MAK-UNK-c749d764-32
0.487
RAL-THA-2d450e86-26
0.486
RAL-THA-2d450e86-23
0.486
IVS-FNM-f9a14d04-1
0.481
RAL-THA-2d450e86-21
0.481
ALP-POS-f13221e1-3
0.480
RAL-THA-2d450e86-24
0.480
PET-UNK-dd44aeb6-1
0.480
RAL-THA-2d450e86-25
0.480
PET-UNK-dd44aeb6-2
0.480
ALP-POS-df536be7-5
0.475
RAL-THA-2d450e86-18
0.474
MAK-UNK-c749d764-12
0.474
MAK-UNK-c749d764-8
0.474
MAT-POS-3b92565d-2
0.474
ALP-POS-3b848b35-1
0.474
MAK-UNK-ffc90da7-2
0.474
RAL-THA-2d450e86-31
0.474
RAL-THA-2d450e86-6
0.474
MAK-UNK-c749d764-11
0.474
RAL-THA-2d450e86-12
0.474
PET-UNK-3c72d439-1
0.474
RAL-THA-2d450e86-9
0.474
RAL-THA-2d450e86-14
0.474
MIC-UNK-df9dcda8-2
0.470
MAT-POS-bbbbc21a-1
0.468
RAL-THA-2d450e86-29
0.468
PET-UNK-bb7ffe78-3
0.468
DAR-DIA-0cde14eb-46
0.468
MAK-UNK-c749d764-26
0.468
BEN-DND-d1eb1f41-4
0.468
MAT-POS-3b92565d-1
0.468
NAU-LAT-2fed8305-4
0.468
ALP-POS-f13221e1-2
0.468
VLA-UNK-9a7dc93f-1
0.468
NAU-LAT-2fed8305-3
0.468
PET-UNK-c9c1e0d8-2
0.468
RYA-UNI-14580791-1
0.465
ALP-POS-df536be7-6
0.464
MAK-UNK-c749d764-1
0.463
RAL-THA-1d44ff04-5
0.457
ALP-POS-f13221e1-1
0.457
PET-UNK-8c422e11-1
0.457
MIC-UNK-df9dcda8-4
0.457
RAL-THA-1d44ff04-3
0.457
RAL-THA-1d44ff04-4
0.456
MIC-UNK-df9dcda8-3
0.456
DAR-DIA-6a508060-11
0.452
RAL-THA-065e0743-1
0.451
MIC-UNK-16ccb665-1
0.451