Molecular Properties | |
SMILES: | COCC(NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C(=O)OC |
MW: | 371.11 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 82.45 |
cLogP: | 1.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Ester
Long aliphatic chain
UNK-CYC-68f84b31-78
0.667
UNK-CYC-68f84b31-80
0.651
UNK-CYC-68f84b31-81
0.650
UNK-CYC-68f84b31-34
0.617
UNK-CYC-68f84b31-62
0.616
UNK-CYC-68f84b31-83
0.612
UNK-CYC-68f84b31-65
0.598
UNK-CYC-68f84b31-64
0.595
UNK-CYC-68f84b31-68
0.591
UNK-CYC-68f84b31-45
0.565
UNK-CYC-68f84b31-41
0.551
UNK-CYC-68f84b31-74
0.544
UNK-CYC-68f84b31-70
0.522
UNK-CYC-68f84b31-4
0.518
UNK-CYC-68f84b31-53
0.516
UNK-CYC-68f84b31-90
0.474
UNK-CYC-68f84b31-79
0.473
UNK-CYC-68f84b31-31
0.462
UNK-CYC-68f84b31-73
0.451
UNK-CYC-68f84b31-51
0.429
UNK-CYC-68f84b31-32
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-68f84b31-15
0.398
UNK-CYC-68f84b31-48
0.373
UNK-CYC-68f84b31-10
0.368
UNK-CYC-68f84b31-17
0.365
UNK-CYC-68f84b31-9
0.358
UNK-CYC-68f84b31-59
0.347
UNK-CYC-68f84b31-3
0.343
UNK-CYC-68f84b31-13
0.343
UNK-CYC-68f84b31-26
0.337
UNK-CYC-68f84b31-58
0.337
UNK-CYC-68f84b31-30
0.336
UNK-CYC-68f84b31-6
0.324
UNK-CYC-68f84b31-54
0.323
UNK-CYC-68f84b31-14
0.317
UNK-CYC-68f84b31-55
0.300
UNK-CYC-68f84b31-29
0.297
UNK-CYC-68f84b31-71
0.284
UNK-CYC-68f84b31-39
0.284
UNK-CYC-68f84b31-8
0.280
UNK-CYC-68f84b31-52
0.280
UNK-CYC-68f84b31-61
0.276
MAR-TRE-a9136c7b-22
0.276
UNK-CYC-68f84b31-44
0.269
MAR-TRE-8190bb11-70
0.263
MAR-TRE-e82e6c98-71
0.258
MAR-TRE-4f781e27-56
0.255
MAR-TRE-4f781e27-27
0.255
UNK-CYC-68f84b31-12
0.255
MAR-TRE-4f781e27-5
0.252
MAR-TRE-799db12b-75
0.250
BEN-VAN-5787f7d3-5
0.250
UNK-CYC-68f84b31-47
0.248
MAR-TRE-e82e6c98-34
0.247
BAR-COM-4e090d3a-2
0.246
UNK-CYC-68f84b31-40
0.245
MAR-TRE-9c797165-17
0.245
UNK-CYC-68f84b31-49
0.243
AAR-UNI-c25c2f1e-103
0.243
UNK-CYC-68f84b31-11
0.241
UNK-CYC-68f84b31-28
0.240
MAR-TRE-3159af1a-25
0.239
MAR-TRE-4f781e27-45
0.237
MAR-TRE-3159af1a-94
0.235
MAR-TRE-66ac689e-84
0.235
MAR-TRE-e86a56b5-41
0.235
MAR-TRE-e86a56b5-73
0.234
MAR-TRE-799db12b-12
0.234
MAR-TRE-e86a56b5-94
0.232
UNK-CYC-68f84b31-27
0.231
MAR-TRE-92684b97-93
0.231
MAR-TRE-9d18ae8c-80
0.230
AAR-UNI-c25c2f1e-89
0.229
MAR-TRE-4f781e27-69
0.229
MAR-TRE-a78003aa-67
0.228
MAR-TRE-4f781e27-71
0.228
MAR-TRE-66ac689e-45
0.228
DRA-CSI-0a78d9ba-4
0.228
UNK-CYC-68f84b31-37
0.227
MAR-TRE-4f781e27-14
0.227
MAR-TRE-799db12b-45
0.226
MAR-TRE-799db12b-49
0.226
MAR-TRE-66ac689e-87
0.225
MAR-TRE-9d18ae8c-17
0.225
MAR-TRE-3159af1a-13
0.225
MAR-TRE-3159af1a-100
0.225
LON-WEI-babf2c61-8
0.225
MAR-TRE-66ac689e-81
0.224
ARI-TAT-5792557e-28
0.224
MAR-TRE-3159af1a-49
0.224
MAR-TRE-4f781e27-39
0.223
MAR-TRE-4f781e27-20
0.223
MAR-TRE-4f781e27-47
0.223
AAR-UNI-c25c2f1e-19
0.223
MAR-TRE-4f781e27-26
0.222
MAR-TRE-e86a56b5-35
0.222