Molecular Properties | |
SMILES: | O=C(Nc1ccc(Oc2ncccn2)cc1)C(=O)N1CCN(Cc2cccs2)CC1 |
MW: | 423.498 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 87.66 |
cLogP: | 2.6133 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z755740660 |
MolPort: | MolPort-047-462-176 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | enamine |
Shipped: | 2020-05-20 |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Oxalyl
LON-WEI-8f408cad-5
MAK-UNK-b1d4dcd7-2
0.687
MAK-UNK-6435e6c2-2
0.440
MAK-UNK-10dfa458-2
0.436
AAR-POS-0daf6b7e-33
0.419
AAR-POS-0daf6b7e-17
0.418
LON-WEI-8f408cad-5
0.418
MAK-UNK-10dfa458-21
0.412
MAK-UNK-b1d4dcd7-5
0.356
MAK-UNK-b1d4dcd7-4
0.350
MAK-UNK-b1d4dcd7-7
0.350
MAK-UNK-b1d4dcd7-1
0.349
MAK-UNK-902cc841-1
0.343
SAD-SAT-1f400d17-8
0.337
MAR-TRE-b77b7921-44
0.294
SAD-SAT-2fd372d1-1
0.281
MAR-TRE-f6f5f473-15
0.274
DAV-CRI-0207e898-1
0.271
MAR-TRE-f6f5f473-5
0.270
MAR-TRE-f6f5f473-60
0.265
MAR-TRE-3159af1a-75
0.263
MAR-TRE-f6f5f473-64
0.263
NAU-LAT-64f4b287-3
0.257
MAR-TRE-f6f5f473-3
0.256
MAR-TRE-74c6519b-84
0.256
AHN-SAT-02ef6d10-6
0.256
MAK-UNK-b1d4dcd7-10
0.254
SAD-SAT-b55127ae-10
0.253
MAR-TRE-04c86cea-29
0.252
MAR-TRE-f6f5f473-57
0.250
MAK-UNK-b1d4dcd7-11
0.250
MED-COV-4280ac29-25
0.245
DRR-IMP-38dce17f-5
0.244
AAR-POS-0daf6b7e-2
0.244
MAR-TRE-b77b7921-28
0.244
UNK-CYC-68f84b31-13
0.241
UNK-UNK-2ede4078-66
0.241
MAR-TRE-04c86cea-23
0.241
MAR-TRE-d0525fbf-61
0.241
SAD-SAT-b55127ae-4
0.239
ASH-UNK-40b46b30-17
0.239
MAK-UNK-e4a48a85-21
0.238
JAR-IMP-ed466bb3-16
0.236
ANU-UNK-2781581f-2
0.236
MAR-TRE-b77b7921-6
0.235
MAR-TRE-04c86cea-66
0.235
MAK-UNK-b1d4dcd7-9
0.235
STU-CHA-464c0256-1
0.234
DOU-UNK-b5326f8f-8
0.233
SEA-TRI-9e600f3c-1
0.231
MAR-TRE-4b834d9a-40
0.231
SEA-TRI-146a67b6-1
0.231
MAR-TRE-6c5ef77a-67
0.231
MAK-UNK-ae34c249-3
0.231
DRA-CSI-0a78d9ba-5
0.230
NIM-UNI-310206f0-22
0.230
JOH-UNI-27ac80fd-38
0.230
DRA-CSI-0a78d9ba-1
0.230
JUL-TUD-06b2044f-74
0.229
JOH-UNI-27ac80fd-24
0.228
DRR-IMP-38dce17f-4
0.228
JOH-UNI-27ac80fd-23
0.228
AAR-POS-0daf6b7e-12
0.228
MAK-UNK-849bee6c-13
0.228
MAR-TRE-dab8f6ea-4
0.228
DAR-DIA-fb20be43-18
0.228
IND-SYN-6c8299e8-4
0.228
AAR-POS-d2a4d1df-20
0.228
MAR-TRE-799db12b-17
0.227
MAK-UNK-3f402c2b-26
0.227
MAR-UCB-195bc32d-3
0.226
SAD-SAT-f25ee457-5
0.226
MAK-UNK-849bee6c-1
0.226
JAN-GHE-fd8d85a5-3
0.225
MAK-UNK-de8f6d00-8
0.225
DRA-CSI-0a78d9ba-10
0.225
MAK-UNK-6ca90168-21
0.225
DRR-IMP-38dce17f-6
0.225
MAK-UNK-10dfa458-8
0.224
MAR-TRE-74c6519b-97
0.224
MAK-UNK-902cc841-2
0.224
MAK-UNK-849bee6c-24
0.224
JOH-UNI-23d9e1b1-1
0.223
DRA-CSI-47e38074-6
0.223
SEA-TRI-f93fcab4-1
0.223
AAR-POS-0daf6b7e-16
0.222
MAK-UNK-e05327b2-1
0.222
TAM-UNI-d1c3dd9f-15
0.222
DRA-CSI-0a78d9ba-4
0.222
MAR-TRE-4b834d9a-7
0.222
DRA-CSI-7ec17797-1
0.221
MAR-TRE-74c6519b-35
0.221
SIM-DEM-2843056b-7
0.221
MED-COV-4280ac29-8
0.221
JON-UNI-bb9dc649-4
0.221
DRA-CSI-0a78d9ba-6
0.220
MAK-UNK-10572812-12
0.220
SAD-SAT-f0a2747f-6
0.220
MAK-UNK-10dfa458-1
0.220
DAN-MCD-0c04f563-1
0.219
DRA-CSI-0a78d9ba-9
0.219