Molecular Properties | |
SMILES: | COC(=O)C[C@@H](C)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 355.11 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 73.22 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Ester
Long aliphatic chain
UNK-CYC-68f84b31-34
0.701
UNK-CYC-68f84b31-60
0.650
UNK-CYC-68f84b31-65
0.637
UNK-CYC-68f84b31-83
0.631
UNK-CYC-68f84b31-62
0.598
UNK-CYC-68f84b31-64
0.595
UNK-CYC-68f84b31-68
0.591
UNK-CYC-68f84b31-78
0.576
UNK-CYC-68f84b31-45
0.565
UNK-CYC-68f84b31-80
0.560
UNK-CYC-68f84b31-41
0.551
UNK-CYC-68f84b31-74
0.544
UNK-CYC-68f84b31-4
0.518
UNK-CYC-68f84b31-53
0.516
UNK-CYC-68f84b31-70
0.505
UNK-CYC-68f84b31-90
0.505
UNK-CYC-68f84b31-31
0.494
UNK-CYC-68f84b31-73
0.465
UNK-CYC-68f84b31-6
0.430
UNK-CYC-68f84b31-51
0.415
UNK-CYC-68f84b31-46
0.413
UNK-CYC-68f84b31-43
0.412
UNK-CYC-68f84b31-19
0.411
UNK-CYC-68f84b31-24
0.402
UNK-CYC-68f84b31-32
0.400
UNK-CYC-68f84b31-15
0.383
UNK-CYC-68f84b31-79
0.381
UNK-CYC-68f84b31-26
0.379
UNK-CYC-68f84b31-17
0.352
UNK-CYC-68f84b31-9
0.333
UNK-CYC-68f84b31-59
0.333
UNK-CYC-68f84b31-13
0.330
UNK-CYC-68f84b31-14
0.330
UNK-CYC-68f84b31-58
0.323
UNK-CYC-68f84b31-3
0.318
UNK-CYC-68f84b31-30
0.313
UNK-CYC-68f84b31-54
0.310
UNK-CYC-68f84b31-48
0.308
UNK-CYC-68f84b31-10
0.306
UNK-CYC-68f84b31-61
0.301
UNK-CYC-68f84b31-55
0.289
UNK-CYC-68f84b31-8
0.280
MAR-TRE-4f781e27-71
0.278
MAR-TRE-799db12b-75
0.276
UNK-CYC-68f84b31-29
0.274
UNK-CYC-68f84b31-71
0.273
UNK-CYC-68f84b31-39
0.272
UNK-CYC-68f84b31-52
0.269
UNK-CYC-68f84b31-44
0.269
UNK-CYC-68f84b31-47
0.259
UNK-CYC-68f84b31-12
0.255
AAR-UNI-c25c2f1e-103
0.255
UNK-CYC-68f84b31-49
0.254
BEN-VAN-5787f7d3-5
0.250
UNK-CYC-68f84b31-40
0.245
MAR-TRE-92684b97-68
0.245
MAR-TRE-9d18ae8c-80
0.242
MAR-TRE-66ac689e-95
0.242
MAR-TRE-92684b97-71
0.242
MAR-TRE-a9136c7b-46
0.240
MAR-TRE-66ac689e-45
0.240
UNK-CYC-68f84b31-28
0.240
MAR-TRE-66ac689e-80
0.240
MAR-TRE-9d18ae8c-40
0.240
MAR-TRE-799db12b-45
0.238
MAR-TRE-799db12b-49
0.238
MAR-TRE-e82e6c98-46
0.238
BAR-COM-4e090d3a-2
0.235
MAR-TRE-92684b97-2
0.233
MAR-TRE-4f781e27-56
0.230
UNK-CYC-68f84b31-11
0.229
MAR-TRE-8a25d817-18
0.229
MAR-TRE-799db12b-36
0.229
MAR-TRE-c317dd82-94
0.227
MAR-TRE-799db12b-46
0.227
MAR-TRE-799db12b-63
0.224
MAR-TRE-799db12b-90
0.223
MAR-TRE-4f781e27-20
0.223
MAR-TRE-a9136c7b-13
0.222
UNK-CYC-68f84b31-27
0.221
AAR-UNI-c25c2f1e-94
0.221
JOH-UNI-61f30276-4
0.221
MAR-TRE-66ac689e-97
0.220
MAR-TRE-be9ff7d2-47
0.220
MAR-TRE-4f781e27-29
0.219
MAR-TRE-8190bb11-97
0.219
MAR-TRE-92684b97-77
0.219
MAR-TRE-e86a56b5-94
0.219
NAU-LAT-e1818702-11
0.218
DRA-CSI-0a78d9ba-4
0.218
DRA-CSI-7ec17797-2
0.218
MAR-TRE-3159af1a-25
0.217
MAK-UNK-9159f8ed-3
0.217
RAF-POL-b61b4b25-6
0.216
MAR-TRE-8190bb11-36
0.216
NIM-NMI-8bb27a2b-19
0.216
MAK-UNK-9159f8ed-6
0.215
MAK-UNK-1e8f9e3c-1
0.215
MAR-TRE-a9136c7b-10
0.215
MAR-TRE-799db12b-19
0.215