Molecular Properties | |
SMILES: | N#CC1CN(C(=O)C(=O)Nc2cccc(-n3nccc3C(F)(F)F)c2)CCO1 |
MW: | 393.1 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 100.25 |
cLogP: | 1.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Oxalyl
UNK-CYC-68f84b31-43
0.537
UNK-CYC-68f84b31-32
0.527
UNK-CYC-68f84b31-17
0.466
UNK-CYC-68f84b31-19
0.402
UNK-CYC-68f84b31-4
0.366
UNK-CYC-68f84b31-64
0.362
UNK-CYC-68f84b31-41
0.361
UNK-CYC-68f84b31-80
0.360
UNK-CYC-68f84b31-65
0.359
UNK-CYC-68f84b31-90
0.357
UNK-CYC-68f84b31-68
0.355
UNK-CYC-68f84b31-31
0.352
UNK-CYC-68f84b31-83
0.352
UNK-CYC-68f84b31-53
0.351
UNK-CYC-68f84b31-51
0.347
UNK-CYC-68f84b31-60
0.343
UNK-CYC-68f84b31-45
0.340
UNK-CYC-68f84b31-24
0.336
UNK-CYC-68f84b31-34
0.333
SAD-SAT-1b030f84-10
0.333
UNK-CYC-68f84b31-46
0.333
UNK-CYC-68f84b31-73
0.331
UNK-CYC-68f84b31-81
0.330
UNK-CYC-68f84b31-70
0.327
UNK-CYC-68f84b31-78
0.316
UNK-CYC-68f84b31-62
0.310
UNK-CYC-68f84b31-74
0.310
MAK-UNK-10dfa458-22
0.305
MAK-UNK-6435e6c2-4
0.280
MAK-UNK-7a704a63-10
0.278
MAK-UNK-7a704a63-9
0.278
MAK-UNK-10dfa458-3
0.278
AAR-POS-0daf6b7e-11
0.278
LON-WEI-8f408cad-1
0.278
MAK-UNK-7a704a63-8
0.277
MAK-UNK-c8c8f7e2-15
0.277
MAK-UNK-c8c8f7e2-30
0.277
MAK-UNK-c8c8f7e2-16
0.268
BAR-COM-4e090d3a-60
0.266
MAK-UNK-10dfa458-25
0.265
MAK-UNK-7a704a63-12
0.263
MAK-UNK-c8c8f7e2-22
0.263
MAK-UNK-c8c8f7e2-24
0.263
MAK-UNK-c8c8f7e2-27
0.260
MAK-UNK-c8c8f7e2-43
0.260
MAK-UNK-c8c8f7e2-17
0.260
EDJ-MED-d203f206-25
0.259
MAK-UNK-c8c8f7e2-42
0.258
MAK-UNK-c8c8f7e2-44
0.258
MAK-UNK-c8c8f7e2-21
0.258
MAK-UNK-c8c8f7e2-18
0.257
SAD-SAT-24589cd1-2
0.255
MAK-UNK-10dfa458-32
0.254
WIL-LEE-23e8b574-8
0.252
BAR-COM-0f94fc3d-53
0.252
MAK-UNK-7a704a63-13
0.250
MAK-UNK-c8c8f7e2-14
0.250
MAK-UNK-7a704a63-2
0.250
MAK-UNK-c8c8f7e2-26
0.250
MAK-UNK-c8c8f7e2-28
0.250
MAK-UNK-7a704a63-14
0.250
MAK-UNK-987948f6-11
0.248
MAK-UNK-c8c8f7e2-23
0.248
MAK-UNK-b1d4dcd7-3
0.241
MAK-UNK-9159f8ed-6
0.241
MAK-UNK-1e8f9e3c-1
0.241
MAK-UNK-9159f8ed-5
0.239
MAR-TRE-a9136c7b-57
0.239
MAK-UNK-c8c8f7e2-29
0.238
MAK-UNK-902cc841-4
0.237
MAK-UNK-7a704a63-15
0.235
MAK-UNK-c8c8f7e2-25
0.235
MAK-UNK-1e8f9e3c-4
0.235
KEI-TRE-d5e2018a-94
0.235
SWA-SYN-d2e6fa14-8
0.234
SWA-SYN-6423ea73-8
0.234
BAR-COM-4e090d3a-58
0.234
UNK-CYC-68f84b31-25
0.234
MAK-UNK-9159f8ed-1
0.233
SAD-SAT-f25ee457-1
0.233
MAK-UNK-902cc841-3
0.233
JOH-UNI-522b0723-11
0.233
MAK-UNK-1e8f9e3c-3
0.232
MAK-UNK-1e8f9e3c-5
0.232
BAR-COM-4e090d3a-23
0.232
MAR-TRE-a9136c7b-42
0.231
MAK-UNK-9159f8ed-4
0.231
UNK-CYC-68f84b31-55
0.231
JOH-UNI-c7afdb96-8
0.230
RAL-MED-2de63afb-4
0.229
MAK-UNK-9159f8ed-2
0.229
UNK-CYC-68f84b31-58
0.228
MAR-TRE-3159af1a-90
0.228
RAL-MED-2de63afb-16
0.227
RAL-MED-2de63afb-15
0.227
MAK-UNK-7a704a63-1
0.227
UNK-UNK-2ede4078-24
0.226
IND-SYN-6c8299e8-8
0.225
SWA-SYN-d2e6fa14-10
0.225
SWA-SYN-6423ea73-9
0.225