Molecular Properties | |
SMILES: | CCOC(=O)C(C)NC(=O)C(C)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 426.15 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 102.32 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
Long aliphatic chain
Dipeptide
UNK-CYC-68f84b31-83
0.618
UNK-CYC-68f84b31-60
0.616
UNK-CYC-68f84b31-34
0.605
UNK-CYC-68f84b31-80
0.602
UNK-CYC-68f84b31-81
0.598
UNK-CYC-68f84b31-74
0.570
UNK-CYC-68f84b31-65
0.568
UNK-CYC-68f84b31-68
0.547
UNK-CYC-68f84b31-45
0.538
UNK-CYC-68f84b31-78
0.520
UNK-CYC-68f84b31-41
0.510
UNK-CYC-68f84b31-64
0.500
UNK-CYC-68f84b31-70
0.485
UNK-CYC-68f84b31-53
0.480
UNK-CYC-68f84b31-4
0.478
UNK-CYC-68f84b31-31
0.458
UNK-CYC-68f84b31-90
0.456
UNK-CYC-68f84b31-73
0.435
UNK-CYC-68f84b31-32
0.414
UNK-CYC-68f84b31-51
0.402
UNK-CYC-68f84b31-43
0.398
UNK-CYC-68f84b31-46
0.387
UNK-CYC-68f84b31-15
0.384
UNK-CYC-68f84b31-19
0.382
UNK-CYC-68f84b31-24
0.377
UNK-CYC-68f84b31-79
0.369
UNK-CYC-68f84b31-26
0.353
UNK-CYC-68f84b31-3
0.345
UNK-CYC-68f84b31-17
0.342
UNK-CYC-68f84b31-48
0.336
UNK-CYC-68f84b31-10
0.333
MAR-TRE-c317dd82-48
0.330
UNK-CYC-68f84b31-58
0.327
UNK-CYC-68f84b31-9
0.325
UNK-CYC-68f84b31-14
0.321
UNK-CYC-68f84b31-30
0.317
UNK-CYC-68f84b31-6
0.316
UNK-CYC-68f84b31-55
0.315
UNK-CYC-68f84b31-54
0.314
UNK-CYC-68f84b31-13
0.310
UNK-CYC-68f84b31-29
0.302
UNK-CYC-68f84b31-59
0.300
UNK-CYC-68f84b31-8
0.286
UNK-CYC-68f84b31-61
0.282
UNK-CYC-68f84b31-71
0.278
UNK-CYC-68f84b31-39
0.278
UNK-CYC-68f84b31-52
0.274
UNK-CYC-68f84b31-44
0.274
UNK-CYC-68f84b31-49
0.271
UNK-CYC-68f84b31-40
0.263
RAF-POL-b61b4b25-6
0.263
UNK-CYC-68f84b31-12
0.261
MAR-TRE-be9ff7d2-68
0.257
MAR-TRE-be9ff7d2-6
0.257
UNK-CYC-68f84b31-47
0.254
AAR-UNI-c25c2f1e-103
0.250
MAR-TRE-9d18ae8c-80
0.250
UNK-CYC-68f84b31-28
0.246
BEN-VAN-5787f7d3-5
0.246
BEN-BAS-0534ec5c-1
0.244
ERI-UCB-fbdd3ea1-3
0.244
MAR-TRE-66ac689e-84
0.243
AAR-UNI-c25c2f1e-89
0.239
UNK-CYC-68f84b31-11
0.237
MAR-TRE-66ac689e-45
0.236
UNK-CYC-68f84b31-75
0.235
MAR-TRE-799db12b-45
0.234
MAR-TRE-799db12b-49
0.234
UNK-CYC-68f84b31-37
0.234
UNK-CYC-68f84b31-42
0.234
BAR-COM-4e090d3a-2
0.232
ALP-POS-ced8ea4d-37
0.231
ALP-POS-88a7a97e-5
0.230
UNK-CYC-68f84b31-27
0.228
MAR-TRE-66ac689e-52
0.227
RAL-MED-9a5eb9cb-1
0.227
NIM-NMI-8bb27a2b-18
0.227
MAR-TRE-3159af1a-25
0.225
ALP-POS-e980f4ea-37
0.225
UNK-CYC-68f84b31-18
0.224
MAR-TRE-799db12b-75
0.222
MAR-TRE-9d18ae8c-17
0.222
BEN-VAN-5787f7d3-13
0.221
MAR-TRE-a9136c7b-12
0.220
MAR-TRE-3159af1a-94
0.220
MAR-TRE-a9136c7b-58
0.220
MAR-TRE-1c920f6f-90
0.220
MAR-TRE-4f781e27-39
0.220
MAR-TRE-a9136c7b-13
0.219
MAR-UCB-195bc32d-32
0.218
AAR-UNI-c25c2f1e-94
0.218
ALF-EVA-719172df-1
0.218
ALP-POS-305f6ec3-55
0.217
MAT-POS-f2460aef-5
0.217
MAR-TRE-be9ff7d2-97
0.217
MAR-TRE-be9ff7d2-47
0.216
LON-WEI-babf2c61-6
0.216
ALP-POS-95f71980-10
0.216
MAR-TRE-8190bb11-87
0.215
MAR-TRE-4f781e27-56
0.215