Molecular Properties | |
SMILES: | COCC(C)(CC(=O)OC)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 399.14 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 82.45 |
cLogP: | 2.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Ester
Long aliphatic chain
UNK-CYC-68f84b31-81
0.595
UNK-CYC-68f84b31-60
0.595
UNK-CYC-68f84b31-59
0.586
UNK-CYC-68f84b31-34
0.529
UNK-CYC-68f84b31-65
0.529
UNK-CYC-68f84b31-83
0.527
UNK-CYC-68f84b31-45
0.517
UNK-CYC-68f84b31-70
0.511
UNK-CYC-68f84b31-4
0.506
UNK-CYC-68f84b31-62
0.500
UNK-CYC-68f84b31-74
0.500
UNK-CYC-68f84b31-80
0.500
UNK-CYC-68f84b31-68
0.495
UNK-CYC-68f84b31-78
0.485
UNK-CYC-68f84b31-41
0.474
UNK-CYC-68f84b31-90
0.450
UNK-CYC-68f84b31-53
0.444
UNK-CYC-68f84b31-31
0.436
UNK-CYC-68f84b31-46
0.406
UNK-CYC-68f84b31-19
0.402
UNK-CYC-68f84b31-73
0.402
UNK-CYC-68f84b31-51
0.394
UNK-CYC-68f84b31-24
0.382
UNK-CYC-68f84b31-32
0.378
UNK-CYC-68f84b31-43
0.376
UNK-CYC-68f84b31-13
0.362
UNK-CYC-68f84b31-17
0.358
UNK-CYC-68f84b31-79
0.320
UNK-CYC-68f84b31-15
0.307
UNK-CYC-68f84b31-54
0.304
UNK-CYC-68f84b31-58
0.304
MAR-TRE-799db12b-75
0.296
UNK-CYC-68f84b31-9
0.292
UNK-CYC-68f84b31-30
0.286
UNK-CYC-68f84b31-3
0.277
UNK-CYC-68f84b31-14
0.275
UNK-CYC-68f84b31-6
0.272
UNK-CYC-68f84b31-71
0.268
UNK-CYC-68f84b31-26
0.267
UNK-CYC-68f84b31-8
0.264
UNK-CYC-68f84b31-52
0.264
UNK-CYC-68f84b31-61
0.259
UNK-CYC-68f84b31-29
0.259
UNK-CYC-68f84b31-48
0.257
UNK-CYC-68f84b31-10
0.256
MAR-TRE-799db12b-90
0.255
UNK-CYC-68f84b31-39
0.255
MAR-TRE-e82e6c98-9
0.253
UNK-CYC-68f84b31-44
0.252
MAR-TRE-799db12b-66
0.247
UNK-CYC-68f84b31-55
0.244
MAR-TRE-4f781e27-71
0.235
BEN-VAN-5787f7d3-5
0.235
MAR-TRE-3159af1a-25
0.235
MAR-TRE-8190bb11-74
0.232
MAR-TRE-4f781e27-47
0.231
AAR-UNI-c25c2f1e-103
0.228
UNK-CYC-68f84b31-12
0.227
UNK-CYC-68f84b31-28
0.226
MAR-TRE-8190bb11-36
0.224
MAK-UNK-9159f8ed-6
0.222
MAK-UNK-1e8f9e3c-1
0.222
BAR-COM-4e090d3a-2
0.221
MAR-TRE-3159af1a-13
0.221
UNK-CYC-68f84b31-40
0.219
MAR-TRE-8190bb11-58
0.218
JOH-UNI-61f30276-4
0.217
AAR-UNI-c25c2f1e-94
0.217
MAK-UNK-1e8f9e3c-2
0.216
LON-WEI-5e7d1b3e-63
0.216
LON-WEI-4d77710c-63
0.216
UNK-CYC-68f84b31-11
0.214
AAR-UNI-c25c2f1e-61
0.214
DRA-CSI-7ec17797-2
0.214
WIL-UNI-1faa9b10-44
0.214
MAR-TRE-3159af1a-64
0.213
UNK-CYC-68f84b31-47
0.213
MAK-UNK-1e8f9e3c-3
0.213
MAK-UNK-9159f8ed-3
0.213
MAR-TRE-0fda4e82-88
0.213
AAR-UNI-c25c2f1e-12
0.211
AMD-UAU-3d234461-1
0.211
CHR-SOS-7098f804-21
0.211
MAR-TRE-3159af1a-12
0.210
AAR-UNI-c25c2f1e-89
0.209
MAR-TRE-f5c2d31c-82
0.209
MAT-POS-162a9720-2
0.208
NIL-NON-a189c016-1
0.208
MAR-TRE-92684b97-66
0.208
UNK-CYC-68f84b31-49
0.208
UNK-CYC-68f84b31-27
0.208
MAR-TRE-3159af1a-94
0.208
MAR-TRE-66ac689e-86
0.206
MAK-UNK-9159f8ed-1
0.205
DRA-CSI-0a78d9ba-4
0.205
MAR-TRE-a9136c7b-45
0.204
MAR-TRE-799db12b-69
0.204
UNK-CYC-68f84b31-37
0.203
DRA-CSI-7ec17797-15
0.203
INS-INS-7e24ab41-1
0.203