Molecular Properties | |
SMILES: | O=C1C(=O)N(Cc2ncon2)c2ccc(S(=O)(=O)N3CCCC3)cc21 |
MW: | 362.07 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 113.68 |
cLogP: | 0.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter41_12_dicarbonyl
Ketone
Hetero_hetero
LOR-NOR-30067bb9-18
LOR-NOR-30067bb9-18
0.554
NAU-LAT-b0463c38-1
0.477
NAU-LAT-b0463c38-6
0.451
NAU-LAT-b0463c38-4
0.412
NAU-LAT-b0463c38-3
0.314
MAR-TRE-6a44bbf2-22
0.308
MAK-UNK-7c9d1431-26
0.308
AHN-SAT-de2502ba-19
0.302
AHN-SAT-de2502ba-11
0.293
SAD-SAT-2fd372d1-3
0.289
MAR-TRE-6a44bbf2-43
0.284
AHN-SAT-de2502ba-6
0.284
MAD-UNK-521a29d8-1
0.283
AHN-SAT-de2502ba-17
0.281
AHN-SAT-de2502ba-18
0.281
AHN-SAT-de2502ba-10
0.278
MAR-TRE-6a44bbf2-89
0.274
MAR-TRE-3e4e6814-80
0.273
LOR-NOR-c954e7ad-6
0.267
AHN-SAT-de2502ba-5
0.264
SAD-SAT-1f400d17-2
0.262
LOR-NOR-c954e7ad-1
0.261
SAD-SAT-2fd372d1-6
0.260
MAK-UNK-7c9d1431-5
0.258
MAR-TRE-6a44bbf2-31
0.258
JAY-UNK-11f5bdbd-1
0.256
CLI-UNI-032f7715-4
0.253
BEN-DND-03ad4429-2
0.253
LOR-NOR-30067bb9-6
0.250
MAR-TRE-d0525fbf-45
0.248
BEN-DND-76ad4ac9-14
0.247
BEN-DND-03406596-3
0.247
MAR-TRE-fd17a9b8-4
0.245
MAR-TRE-6a44bbf2-49
0.245
MAK-UNK-7c9d1431-7
0.245
SAD-SAT-2fd372d1-5
0.241
MAK-UNK-69bf97dd-1
0.238
MAR-TRE-6a44bbf2-36
0.237
MAK-UNK-7c9d1431-2
0.237
NAU-LAT-b0463c38-8
0.236
SAD-SAT-2ceae68f-6
0.236
TAT-ENA-80bfd3e5-48
0.234
SAD-SAT-f2e2579e-2
0.234
MAR-TRE-6a44bbf2-32
0.233
ABB-MCD-f8003a30-1
0.233
MAK-UNK-7c9d1431-10
0.233
MAR-TRE-fd17a9b8-50
0.232
MAK-UNK-c74072e5-9
0.231
MAR-TRE-74c6519b-66
0.230
OLE-CAR-5b17bec5-6
0.230
MAK-UNK-7c9d1431-1
0.229
MAR-TRE-6a44bbf2-38
0.229
MAR-TRE-fd17a9b8-47
0.229
NAU-LAT-b0463c38-9
0.229
SAD-SAT-135344c3-2
0.228
LOR-NOR-c954e7ad-3
0.227
LOR-NOR-c954e7ad-5
0.227
SAD-SAT-9a6c5cf3-6
0.226
KEN-MCD-6084b33e-1
0.226
PET-UNK-d62a9a75-1
0.226
PET-UNK-d62a9a75-3
0.226
BEN-DND-03406596-8
0.226
BEN-DND-76ad4ac9-6
0.225
DAN-MCD-50ec7d1f-1
0.225
MAK-UNK-009ebe36-7
0.224
MAK-UNK-69bf97dd-5
0.224
LOR-NEU-c8f11034-8
0.223
AHN-SAT-de2502ba-16
0.223
MAR-TRE-fd17a9b8-22
0.223
MAK-UNK-7c9d1431-8
0.222
MAR-TRE-6a44bbf2-26
0.222
SAD-SAT-9a6c5cf3-1
0.221
AHN-SAT-de2502ba-9
0.221
LOR-NOR-c954e7ad-4
0.218
SAD-SAT-f2e2579e-7
0.218
MAR-TRE-fd17a9b8-100
0.216
MAK-UNK-7c9d1431-22
0.215
MAR-TRE-fd17a9b8-2
0.215
MAR-TRE-2fd8122f-33
0.214
BEN-DND-03ad4429-1
0.214
MAK-UNK-69bf97dd-9
0.214
SAD-SAT-3a925b8b-3
0.213
MAK-UNK-7c9d1431-19
0.213
AHN-SAT-de2502ba-2
0.213
MAR-TRE-6a44bbf2-30
0.213
MAK-UNK-7c9d1431-11
0.213
TAT-ENA-80bfd3e5-43
0.213
MAR-TRE-6a44bbf2-65
0.213
MAR-TRE-fd17a9b8-74
0.212
SAD-SAT-135344c3-3
0.212
BEN-DND-03406596-10
0.211
LON-WEI-8f408cad-4
0.211
MAR-TRE-6a44bbf2-18
0.211
AAR-POS-d2a4d1df-23
0.211
TAT-ENA-80bfd3e5-27
0.210
SAD-SAT-9a6c5cf3-2
0.210
DAR-DIA-53551c05-5
0.209
MAK-UNK-7c9d1431-3
0.208
MAK-UNK-7c9d1431-4
0.208
IND-SYN-6c8299e8-2
0.208