Molecular Properties | |
SMILES: | O=C(Nc1nnc(-c2ccccn2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 |
MW: | 431.449 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 118.29 |
cLogP: | 2.3101 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule Ultimate: | BYYASYVYZFBCQS-UHFFFAOYSA-N |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | mcule |
Shipped: | 2020-07-08 |
Activated haloaromatics
Hetero_hetero
DRA-CSI-7ec17797-7
0.659
DRA-CSI-7ec17797-6
0.558
DRA-CSI-0a78d9ba-13
0.553
DRA-CSI-7ec17797-4
0.427
MAR-TRE-04c86cea-35
0.370
KEI-TRE-d5e2018a-38
0.369
MAR-TRE-d0525fbf-90
0.337
DRA-CSI-7ec17797-19
0.336
DRA-CSI-3ab97369-1
0.336
KEI-TRE-d5e2018a-73
0.333
DRA-CSI-3ab97369-7
0.331
DRA-CSI-3ab97369-6
0.328
MAR-TRE-2fd8122f-33
0.327
DRA-CSI-3ab97369-3
0.325
DRA-CSI-3ab97369-5
0.320
DRR-IMP-dff87f5e-1
0.315
KAY-MCD-d0fe5261-1
0.315
MAR-TRE-6a44bbf2-58
0.315
MAT-POS-b5746674-57
0.310
MAR-TRE-74c6519b-66
0.307
GIA-UNK-5ec6c2b8-4
0.306
MAR-TRE-2fd8122f-19
0.305
GIA-UNK-eaadd1d4-3
0.295
MAR-TRE-2fd8122f-29
0.292
BEN-DND-03406596-8
0.292
HIR-FOR-a67ea703-1
0.286
MAK-UNK-69bf97dd-9
0.286
MAR-TRE-04c86cea-17
0.283
BEN-DND-76ad4ac9-6
0.280
MAR-TRE-4b834d9a-42
0.278
MAR-TRE-2fd8122f-10
0.278
GIA-UNK-595fac82-4
0.277
MAR-TRE-fd17a9b8-2
0.273
MAR-TRE-7f7bb9f0-26
0.271
JAG-UCB-ef2c0e8e-6
0.270
MAR-TRE-f6f5f473-23
0.269
CLI-UNI-032f7715-4
0.267
MAR-TRE-fd17a9b8-47
0.267
DRA-CSI-3ab97369-2
0.267
MAR-TRE-3e4e6814-54
0.266
SAD-SAT-135344c3-2
0.264
MAR-TRE-04c86cea-46
0.264
MAR-TRE-3159af1a-50
0.262
SAD-SAT-135344c3-4
0.259
MAK-UNK-009ebe36-3
0.259
MAK-UNK-69bf97dd-5
0.259
MAR-TRE-fd17a9b8-56
0.259
SAD-SAT-2fd372d1-6
0.259
MAR-TRE-fd17a9b8-92
0.259
MAR-TRE-a9136c7b-64
0.257
MAR-TRE-fd17a9b8-4
0.257
MAR-TRE-fd17a9b8-50
0.257
SAD-SAT-135344c3-5
0.257
MAR-TRE-fd17a9b8-16
0.255
MAK-UNK-a7992eb3-8
0.255
DRA-CSI-3ab97369-4
0.250
MAR-TRE-fd17a9b8-74
0.250
MAR-TRE-fd17a9b8-22
0.248
KEI-TRE-d5e2018a-32
0.248
SAD-SAT-f2e2579e-5
0.248
MAR-TRE-3e4e6814-34
0.248
SAD-SAT-1f400d17-2
0.247
MAK-UNK-a7992eb3-9
0.246
MAR-TRE-2fd8122f-13
0.245
MAR-TRE-6a44bbf2-89
0.245
MAT-POS-ea426761-85
0.244
SAD-SAT-9a6c5cf3-5
0.243
MAR-TRE-fd17a9b8-100
0.243
BEN-DND-76ad4ac9-2
0.242
MAT-POS-b5746674-53
0.242
MAR-TRE-3159af1a-54
0.241
MAR-TRE-fd17a9b8-62
0.241
SAD-SAT-f2e2579e-10
0.241
MAR-TRE-fd17a9b8-15
0.240
MAK-UNK-69bf97dd-1
0.239
BEN-DND-031a96cc-4
0.238
DRA-CSI-7ec17797-10
0.237
MAT-POS-b5746674-55
0.237
SIM-SYN-3099a863-1
0.236
KEN-MCD-4729dc98-1
0.235
DRA-CSI-7ec17797-1
0.234
DRA-CSI-0a78d9ba-5
0.233
SAD-SAT-9a6c5cf3-9
0.232
DRA-CSI-0a78d9ba-1
0.232
ALE-MCD-4ac17b19-1
0.231
MAR-TRE-c8530538-59
0.231
DAN-MCD-0fb4364c-1
0.231
LON-WEI-120e5cf5-21
0.231
KEI-TRE-d5e2018a-9
0.230
DRA-CSI-13f611db-1
0.230
DRA-CSI-3ab97369-13
0.230
SAL-INS-1ea6d4ee-1
0.230
MAT-POS-b5746674-56
0.229
BEN-DND-76ad4ac9-1
0.229
DRA-CSI-7ec17797-3
0.229
MAK-UNK-69bf97dd-2
0.229
FOC-CAS-e3a94da8-2
0.228
MAT-POS-590ac91e-58
0.228
SAD-SAT-7d5528d9-7
0.228
MAR-TRE-fd17a9b8-42
0.228