Molecular Properties | |
SMILES: | O=C(NNC(=O)C(=O)Nc1cccc(-n2nccc2C(F)(F)F)c1)OCc1ccccc1 |
MW: | 447.12 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 114.35 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
alpha_dicarbonyl
diketo group
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
α-Diketones
Filter20_hydrazine
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
carbamate, CBZ Protected
carbamate include di-substitued N
acyl hydrazine
Long aliphatic chain
Hetero_hetero
hydrazine
Oxalyl
UNK-CYC-68f84b31-70
0.615
UNK-CYC-68f84b31-43
0.515
UNK-CYC-68f84b31-13
0.466
UNK-CYC-68f84b31-32
0.459
UNK-CYC-68f84b31-41
0.410
UNK-CYC-68f84b31-45
0.402
UNK-CYC-68f84b31-24
0.379
UNK-CYC-68f84b31-60
0.365
UNK-CYC-68f84b31-83
0.361
UNK-CYC-68f84b31-52
0.361
UNK-CYC-68f84b31-64
0.358
UNK-CYC-68f84b31-46
0.353
UNK-CYC-68f84b31-81
0.352
UNK-CYC-68f84b31-73
0.350
UNK-CYC-68f84b31-4
0.350
UNK-CYC-68f84b31-78
0.348
UNK-CYC-68f84b31-80
0.345
UNK-CYC-68f84b31-34
0.343
UNK-CYC-68f84b31-62
0.342
UNK-CYC-68f84b31-74
0.342
UNK-CYC-68f84b31-68
0.339
UNK-CYC-68f84b31-19
0.333
UNK-CYC-68f84b31-65
0.330
UNK-CYC-68f84b31-31
0.324
UNK-CYC-68f84b31-90
0.319
UNK-CYC-68f84b31-51
0.311
UNK-CYC-68f84b31-53
0.302
BAR-COM-4e090d3a-19
0.283
MAK-UNK-f983951f-5
0.281
UNK-CYC-68f84b31-75
0.271
FAR-UNI-124f5ee8-1
0.266
UNK-CYC-68f84b31-6
0.264
MAK-UNK-7a704a63-8
0.260
MAK-UNK-c8c8f7e2-15
0.260
BEN-DND-09b88bf4-7
0.254
LON-WEI-8f408cad-1
0.250
AAR-POS-0daf6b7e-11
0.250
MAK-UNK-7a704a63-10
0.250
MAK-UNK-7a704a63-9
0.250
MAK-UNK-6435e6c2-4
0.250
MAK-UNK-9159f8ed-4
0.250
MAK-UNK-9159f8ed-5
0.248
FAR-UNI-a04c1544-1
0.248
MAK-UNK-987948f6-11
0.245
MAT-POS-bfefc3ea-2
0.245
RAL-MED-2de63afb-6
0.245
MAK-UNK-c8c8f7e2-17
0.245
MAK-UNK-c8c8f7e2-18
0.243
MAK-UNK-10dfa458-32
0.242
BAR-COM-4e090d3a-60
0.241
DRA-CSI-47e38074-4
0.240
MAK-UNK-c8c8f7e2-16
0.240
LON-WEI-adc59df6-38
0.239
UNK-CYC-68f84b31-3
0.238
MAK-UNK-10dfa458-3
0.238
MAK-UNK-10dfa458-22
0.238
MAK-UNK-9159f8ed-2
0.237
DRA-CSI-0a78d9ba-5
0.237
JOH-MSK-8ad0fd05-1
0.235
MAK-UNK-c8c8f7e2-14
0.235
MAK-UNK-7a704a63-2
0.235
MAK-UNK-c8c8f7e2-30
0.235
MAK-UNK-7a704a63-12
0.235
JOH-MSK-46727e7b-1
0.234
MAK-UNK-1e8f9e3c-4
0.233
MAK-UNK-c8c8f7e2-43
0.232
MAR-TRE-2fd8122f-39
0.232
MAK-UNK-9159f8ed-1
0.231
BEN-VAN-5787f7d3-4
0.231
BAR-COM-4e090d3a-61
0.231
UNK-CYC-68f84b31-36
0.231
WIL-UNI-1faa9b10-23
0.231
MAK-UNK-c8c8f7e2-44
0.230
MAR-TRE-1c920f6f-81
0.229
MAR-TRE-a9136c7b-42
0.229
SAD-SAT-24589cd1-2
0.229
AAR-POS-fca48359-12
0.228
FAR-UNI-9a76d7b5-1
0.228
DRA-CSI-0a78d9ba-1
0.227
AAR-UNI-c25c2f1e-35
0.226
DRA-CSI-3ab97369-4
0.226
AAR-UNI-c25c2f1e-87
0.226
MAR-TRE-a9136c7b-57
0.225
JAN-GHE-83b26c96-14
0.224
DAR-DIA-0cde14eb-76
0.224
ALP-POS-95b75b4d-3
0.224
MAK-UNK-c8c8f7e2-22
0.223
MAK-UNK-7a704a63-14
0.223
MAK-UNK-c8c8f7e2-24
0.223
MAK-UNK-c8c8f7e2-28
0.223
JOH-UNI-61f30276-4
0.223
MAR-TRE-1c920f6f-96
0.221
MAR-TRE-8a25d817-83
0.221
JOH-UNI-abfda500-7
0.220
BAR-COM-4e090d3a-11
0.220
SIM-TAK-0ea87db9-1
0.220
MAK-UNK-f983951f-13
0.220
FRA-BIO-8bf1eac9-4
0.220
MAK-UNK-1e8f9e3c-5
0.219
MAK-UNK-1e8f9e3c-3
0.219