Molecular Properties | |
SMILES: | N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 448.06 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.01 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
high halogen content (>3)
Ester
UNK-CYC-68f84b31-51
0.667
UNK-CYC-68f84b31-24
0.602
UNK-CYC-68f84b31-4
0.440
UNK-CYC-68f84b31-70
0.434
UNK-CYC-68f84b31-83
0.434
UNK-CYC-68f84b31-53
0.418
UNK-CYC-68f84b31-80
0.414
UNK-CYC-68f84b31-81
0.413
UNK-CYC-68f84b31-60
0.413
UNK-CYC-68f84b31-90
0.411
UNK-CYC-68f84b31-45
0.410
UNK-CYC-68f84b31-31
0.410
UNK-CYC-68f84b31-68
0.409
UNK-CYC-68f84b31-19
0.406
UNK-CYC-68f84b31-64
0.406
UNK-CYC-68f84b31-34
0.404
UNK-CYC-68f84b31-65
0.404
UNK-CYC-68f84b31-41
0.404
UNK-CYC-68f84b31-32
0.396
UNK-CYC-68f84b31-62
0.387
UNK-CYC-68f84b31-74
0.387
UNK-CYC-68f84b31-78
0.379
UNK-CYC-68f84b31-73
0.370
UNK-CYC-68f84b31-43
0.369
UNK-CYC-68f84b31-17
0.353
UNK-CYC-68f84b31-13
0.333
UNK-CYC-68f84b31-58
0.327
UNK-CYC-68f84b31-44
0.322
MAR-TRE-3e4e6814-63
0.315
UNK-CYC-68f84b31-35
0.307
UNK-CYC-68f84b31-54
0.304
UNK-CYC-68f84b31-30
0.297
UNK-CYC-68f84b31-79
0.296
UNK-CYC-68f84b31-15
0.295
MAK-UNK-10dfa458-32
0.293
UNK-CYC-68f84b31-39
0.292
UNK-CYC-68f84b31-29
0.282
MAK-UNK-9159f8ed-4
0.281
UNK-CYC-68f84b31-8
0.277
UNK-CYC-68f84b31-52
0.277
MAK-UNK-6ca90168-23
0.274
UNK-CYC-68f84b31-61
0.274
UNK-CYC-68f84b31-59
0.269
MAR-TRE-9c797165-96
0.264
UNK-CYC-68f84b31-49
0.264
PED-UNI-292b67d6-1
0.264
UNK-CYC-68f84b31-11
0.263
UNK-CYC-68f84b31-9
0.262
UNK-CYC-68f84b31-26
0.259
UNK-CYC-68f84b31-3
0.258
UNK-CYC-68f84b31-6
0.254
UNK-CYC-68f84b31-27
0.252
UNK-CYC-68f84b31-28
0.250
UNK-CYC-68f84b31-10
0.250
UNK-CYC-68f84b31-55
0.248
CHO-MSK-6e55470f-23
0.248
UNK-CYC-68f84b31-14
0.246
JOH-UNI-61f30276-4
0.246
UNK-CYC-68f84b31-12
0.244
MAR-TRE-6c5ef77a-96
0.241
AGN-NEW-c7b24fe3-4
0.241
UNK-CYC-68f84b31-71
0.240
UNK-CYC-68f84b31-48
0.240
PET-UNK-dd44aeb6-3
0.239
RAL-THA-2d450e86-28
0.239
MAR-TRE-7f7bb9f0-61
0.239
UNK-CYC-68f84b31-37
0.238
UNK-CYC-68f84b31-47
0.238
MAR-TRE-14ce9fd6-51
0.238
ALP-POS-95b75b4d-9
0.236
JIN-POS-6dc588a4-4
0.236
DAR-DIA-0cde14eb-76
0.236
ALP-POS-95b75b4d-3
0.236
SAM-UNK-2684b532-12
0.236
JAN-GHE-83b26c96-14
0.236
PET-UNK-6314f867-3
0.233
CHO-MSK-6e55470f-17
0.232
ANT-DIA-3c79be55-3
0.231
MAT-POS-b5746674-73
0.230
AGN-NEW-c7b24fe3-5
0.229
JIN-POS-6dc588a4-24
0.228
ANN-UNI-98d2bf15-2
0.225
SAD-SAT-24589cd1-5
0.225
BEN-DND-61647d40-18
0.224
MAR-TRE-6c5ef77a-77
0.222
TRY-UNI-714a760b-6
0.222
PET-UNK-bb7ffe78-2
0.221
JOH-UNI-abfda500-7
0.221
MAT-POS-c9973a83-1
0.221
WIL-UNI-1faa9b10-16
0.221
JIN-POS-6dc588a4-9
0.221
JOH-UNI-ee5ed7c8-3
0.220
MAR-TRE-6c5ef77a-51
0.220
JOH-UNI-3fc3434e-3
0.220
MAR-TRE-1c920f6f-91
0.220
MAK-UNK-6ca90168-29
0.220
JIN-POS-6dc588a4-6
0.219
MAT-POS-bb423b95-3
0.219
BEN-DND-1e24cf73-3
0.219
ALP-POS-0c2c77e1-1
0.219