Molecular Properties | |
SMILES: | CCCC(C#N)C(=O)Nc1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 336.12 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 70.71 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
UNK-CYC-68f84b31-43
0.586
UNK-CYC-68f84b31-13
0.527
UNK-CYC-68f84b31-31
0.473
UNK-CYC-68f84b31-17
0.459
UNK-CYC-68f84b31-83
0.453
UNK-CYC-68f84b31-80
0.444
UNK-CYC-68f84b31-68
0.439
UNK-CYC-68f84b31-34
0.435
UNK-CYC-68f84b31-19
0.421
UNK-CYC-68f84b31-41
0.418
UNK-CYC-68f84b31-60
0.415
UNK-CYC-68f84b31-62
0.414
UNK-CYC-68f84b31-90
0.412
UNK-CYC-68f84b31-45
0.411
UNK-CYC-68f84b31-65
0.404
UNK-CYC-68f84b31-81
0.400
UNK-CYC-68f84b31-46
0.396
UNK-CYC-68f84b31-53
0.392
UNK-CYC-68f84b31-51
0.385
UNK-CYC-68f84b31-64
0.378
UNK-CYC-68f84b31-24
0.373
UNK-CYC-68f84b31-74
0.373
UNK-CYC-68f84b31-4
0.368
UNK-CYC-68f84b31-78
0.364
UNK-CYC-68f84b31-73
0.355
UNK-CYC-68f84b31-70
0.353
MAK-UNK-c8c8f7e2-22
0.300
JOH-UNI-c7afdb96-8
0.292
MAK-UNK-7a704a63-9
0.289
MAK-UNK-10dfa458-22
0.289
MAK-UNK-c8c8f7e2-24
0.286
JOH-UNI-c7afdb96-7
0.286
MAK-UNK-c8c8f7e2-17
0.283
JOH-UNI-c7afdb96-6
0.280
MAK-UNK-c8c8f7e2-16
0.278
MAK-UNK-6435e6c2-4
0.276
JOH-UNI-c7afdb96-13
0.275
MAK-UNK-c8c8f7e2-23
0.269
MAK-UNK-c8c8f7e2-44
0.267
MAK-UNK-902cc841-4
0.266
MAT-POS-590ac91e-14
0.266
MAK-UNK-902cc841-3
0.262
AAR-POS-0daf6b7e-11
0.261
LON-WEI-8f408cad-1
0.261
MAK-UNK-7a704a63-10
0.261
MAR-TRE-14ce9fd6-43
0.260
UNK-CYC-68f84b31-15
0.260
AAR-UNI-c25c2f1e-53
0.260
BAR-COM-0f94fc3d-53
0.259
MAK-UNK-7a704a63-8
0.258
MAK-UNK-c8c8f7e2-15
0.258
MAK-UNK-c8c8f7e2-30
0.258
RAL-MED-2de63afb-16
0.257
MAR-TRE-0fda4e82-47
0.257
RAL-MED-2de63afb-15
0.257
MIC-UNK-2744a8e2-2
0.257
MIC-UNK-2744a8e2-13
0.257
MIC-UNK-1e397c67-1
0.257
MAK-UNK-c8c8f7e2-27
0.256
MAK-UNK-c8c8f7e2-43
0.256
MAK-UNK-c8c8f7e2-21
0.253
MAK-UNK-c8c8f7e2-18
0.253
BAR-COM-4e090d3a-60
0.250
UNK-CYC-68f84b31-79
0.250
MAR-TRE-2fd8122f-69
0.250
UNK-CYC-68f84b31-61
0.250
SAD-SAT-24589cd1-2
0.250
MAK-UNK-10dfa458-3
0.247
UNK-CYC-68f84b31-3
0.246
MIC-UNK-2744a8e2-3
0.245
UNK-CYC-68f84b31-26
0.245
UNK-CYC-68f84b31-58
0.245
MAK-UNK-7a704a63-14
0.245
MAK-UNK-c8c8f7e2-28
0.245
MAK-UNK-7a704a63-13
0.244
MAK-UNK-c8c8f7e2-14
0.244
MAK-UNK-7a704a63-2
0.244
MAK-UNK-c8c8f7e2-26
0.244
MAK-UNK-7a704a63-12
0.244
MIC-UNK-2744a8e2-9
0.243
MAK-UNK-c8c8f7e2-25
0.242
MAK-UNK-7a704a63-3
0.242
MAK-UNK-c8c8f7e2-13
0.242
UNK-CYC-68f84b31-49
0.241
SWA-SYN-6423ea73-8
0.240
SWA-SYN-d2e6fa14-8
0.240
MIC-UNK-2744a8e2-4
0.240
DAR-DIA-23aa0b97-1
0.240
MAK-UNK-10dfa458-32
0.239
MAK-UNK-c8c8f7e2-42
0.239
BEN-VAN-5787f7d3-4
0.239
MIC-UNK-2744a8e2-5
0.239
MAK-UNK-9159f8ed-1
0.239
UNK-CYC-68f84b31-11
0.239
MAK-UNK-10dfa458-25
0.239
MAR-TRE-14ce9fd6-37
0.238
UNK-CYC-68f84b31-28
0.238
MAR-TRE-a9136c7b-42
0.238
UNK-CYC-68f84b31-10
0.237
MAR-TRE-85681e92-56
0.237