Molecular Properties | |
SMILES: | CC(OC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1C#N |
MW: | 462.07 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.01 |
cLogP: | 4.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
high halogen content (>3)
Ester
UNK-CYC-68f84b31-46
0.667
UNK-CYC-68f84b31-35
0.457
UNK-CYC-68f84b31-83
0.449
UNK-CYC-68f84b31-24
0.448
UNK-CYC-68f84b31-68
0.436
UNK-CYC-68f84b31-65
0.433
UNK-CYC-68f84b31-60
0.429
UNK-CYC-68f84b31-74
0.427
UNK-CYC-68f84b31-31
0.425
UNK-CYC-68f84b31-53
0.420
UNK-CYC-68f84b31-41
0.418
UNK-CYC-68f84b31-80
0.416
UNK-CYC-68f84b31-81
0.415
UNK-CYC-68f84b31-4
0.413
UNK-CYC-68f84b31-90
0.412
UNK-CYC-68f84b31-34
0.406
UNK-CYC-68f84b31-62
0.402
UNK-CYC-68f84b31-45
0.398
UNK-CYC-68f84b31-64
0.394
UNK-CYC-68f84b31-78
0.393
UNK-CYC-68f84b31-32
0.385
UNK-CYC-68f84b31-43
0.384
UNK-CYC-68f84b31-19
0.382
UNK-CYC-68f84b31-73
0.372
UNK-CYC-68f84b31-70
0.372
UNK-CYC-68f84b31-13
0.347
UNK-CYC-68f84b31-29
0.317
UNK-CYC-68f84b31-17
0.311
UNK-CYC-68f84b31-15
0.310
UNK-CYC-68f84b31-79
0.299
UNK-CYC-68f84b31-30
0.290
UNK-CYC-68f84b31-58
0.284
UNK-CYC-68f84b31-44
0.281
UNK-CYC-68f84b31-9
0.276
UNK-CYC-68f84b31-10
0.273
UNK-CYC-68f84b31-61
0.267
UNK-CYC-68f84b31-48
0.264
UNK-CYC-68f84b31-39
0.263
UNK-CYC-68f84b31-54
0.263
UNK-CYC-68f84b31-14
0.260
UNK-CYC-68f84b31-12
0.258
SAM-UNK-2684b532-6
0.257
UNK-CYC-68f84b31-26
0.252
UNK-CYC-68f84b31-59
0.252
UNK-CYC-68f84b31-3
0.252
MAT-POS-a3f7f96a-4
0.248
UNK-CYC-68f84b31-6
0.248
UNK-UNK-2ede4078-16
0.246
UNK-CYC-68f84b31-55
0.243
UNK-CYC-68f84b31-47
0.242
UNK-CYC-68f84b31-8
0.240
UNK-CYC-68f84b31-11
0.236
UNK-CYC-68f84b31-28
0.235
UNK-CYC-68f84b31-71
0.234
UNK-CYC-68f84b31-42
0.233
TRY-UNI-714a760b-18
0.232
TRY-UNI-2eddb1ff-4
0.232
JAN-GHE-83b26c96-4
0.232
TRY-UNI-2eddb1ff-5
0.232
JAN-GHE-83b26c96-5
0.232
UNK-CYC-68f84b31-40
0.230
UNK-CYC-68f84b31-52
0.230
JAN-GHE-83b26c96-9
0.230
MAK-UNK-f203cb68-6
0.230
UNK-CYC-68f84b31-49
0.229
EDJ-MED-ee742daa-1
0.228
ERI-UCB-5b47150d-1
0.228
MAT-POS-590ac91e-1
0.228
MAT-POS-590ac91e-2
0.228
MAK-UNK-f203cb68-7
0.226
MAK-UNK-f203cb68-3
0.225
MAR-TRE-6c5ef77a-96
0.225
SAD-SAT-89668ff1-3
0.225
TRY-UNI-714a760b-22
0.224
MAT-POS-1e5f28a7-1
0.224
MAK-UNK-f203cb68-10
0.224
SAM-UNK-2684b532-7
0.223
MAK-UNK-f203cb68-13
0.222
EDJ-MED-343bb62d-3
0.221
MAK-UNK-f203cb68-19
0.221
MAK-UNK-6ca90168-23
0.221
MAK-UNK-f203cb68-22
0.220
NAU-LAT-a5c7d7cb-3
0.220
VLA-UCB-05e51b3f-2
0.220
EDG-MED-0da5ad92-5
0.219
MAT-POS-5d20d11c-1
0.219
MAT-POS-590ac91e-16
0.219
UNK-CYC-68f84b31-27
0.219
MAK-UNK-f203cb68-12
0.219
ADA-UCB-6c2cb422-2
0.218
ANT-DIA-3c79be55-3
0.216
CHO-MSK-6e55470f-23
0.216
JAN-GHE-83b26c96-2
0.216
UNK-CYC-68f84b31-75
0.215
MAK-UNK-f203cb68-2
0.215
UNK-CYC-68f84b31-37
0.215
UNK-CYC-68f84b31-50
0.215
MAK-UNK-f203cb68-1
0.214
UNK-CYC-68f84b31-18
0.214
UNK-CYC-68f84b31-69
0.214