Molecular Properties | |
SMILES: | COCC(C)(CC(=O)OC)NC(=O)c1cccc(-n2ncc(C#N)c2N)c1 |
MW: | 371.16 |
Fraction sp3: | 0.33 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 132.26 |
cLogP: | 1.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
aniline
Ester
Long aliphatic chain
UNK-CYC-68f84b31-64
0.586
UNK-CYC-68f84b31-79
0.568
UNK-CYC-68f84b31-54
0.552
UNK-CYC-68f84b31-15
0.540
UNK-CYC-68f84b31-26
0.534
UNK-CYC-68f84b31-58
0.517
UNK-CYC-68f84b31-61
0.516
UNK-CYC-68f84b31-14
0.516
UNK-CYC-68f84b31-52
0.516
UNK-CYC-68f84b31-71
0.516
UNK-CYC-68f84b31-6
0.515
UNK-CYC-68f84b31-9
0.510
UNK-CYC-68f84b31-48
0.500
UNK-CYC-68f84b31-39
0.500
UNK-CYC-68f84b31-29
0.495
UNK-CYC-68f84b31-3
0.495
UNK-CYC-68f84b31-8
0.484
UNK-CYC-68f84b31-44
0.484
UNK-CYC-68f84b31-10
0.475
UNK-CYC-68f84b31-12
0.473
UNK-CYC-68f84b31-30
0.449
UNK-CYC-68f84b31-28
0.426
UNK-CYC-68f84b31-11
0.423
UNK-CYC-68f84b31-55
0.416
UNK-CYC-68f84b31-47
0.415
UNK-CYC-68f84b31-27
0.378
UNK-CYC-68f84b31-60
0.347
UNK-CYC-68f84b31-83
0.343
UNK-CYC-68f84b31-81
0.333
UNK-CYC-68f84b31-80
0.327
UNK-CYC-68f84b31-68
0.309
MAR-TRE-799db12b-75
0.303
UNK-CYC-68f84b31-62
0.300
UNK-CYC-68f84b31-65
0.298
UNK-CYC-68f84b31-41
0.291
UNK-CYC-68f84b31-34
0.286
UNK-CYC-68f84b31-78
0.284
UNK-CYC-68f84b31-24
0.283
UNK-CYC-68f84b31-53
0.283
BAR-COM-4e090d3a-14
0.283
UNK-CYC-68f84b31-70
0.282
UNK-CYC-68f84b31-45
0.280
UNK-CYC-68f84b31-90
0.278
UNK-CYC-68f84b31-74
0.277
MAR-TRE-799db12b-90
0.275
UNK-CYC-68f84b31-46
0.269
MAR-TRE-0fda4e82-88
0.261
UNK-CYC-68f84b31-4
0.255
UNK-CYC-68f84b31-51
0.252
MAR-TRE-4f781e27-47
0.250
MAR-TRE-e82e6c98-9
0.247
UNK-CYC-68f84b31-73
0.246
UNK-CYC-68f84b31-31
0.245
MAR-TRE-799db12b-66
0.242
MAR-TRE-8190bb11-74
0.240
GAB-REV-df64cf17-1
0.238
GAB-FAC-0d239413-1
0.235
MAK-UNK-10dfa458-24
0.234
MAR-TRE-8190bb11-36
0.232
MAR-TRE-a3327163-89
0.231
MAR-TRE-4f781e27-71
0.231
MAR-TRE-0fda4e82-13
0.229
BAR-COM-4e090d3a-2
0.228
MAT-POS-b5746674-123
0.227
UNK-CYC-68f84b31-43
0.226
ALP-POS-95b75b4d-9
0.225
MAR-TRE-8190bb11-58
0.225
MAR-TRE-92684b97-59
0.224
MAR-TRE-a3327163-7
0.223
MAR-TRE-a9136c7b-45
0.222
MAK-UNK-10dfa458-25
0.221
UNK-CYC-68f84b31-19
0.221
MAR-TRE-1c920f6f-87
0.221
MAR-TRE-1c920f6f-13
0.221
MAR-TRE-9d18ae8c-80
0.221
MAR-TRE-6c5ef77a-9
0.221
BEN-VAN-5787f7d3-5
0.220
AAR-UNI-c25c2f1e-25
0.220
MAR-TRE-4f781e27-74
0.220
CHR-SOS-7098f804-21
0.219
MAR-TRE-66ac689e-28
0.218
MAR-TRE-e82e6c98-11
0.218
MAR-TRE-0fda4e82-84
0.217
MAR-TRE-8190bb11-4
0.217
WIL-UNI-5578df48-19
0.216
DAR-DIA-bd041b9b-29
0.216
MAR-TRE-1c920f6f-90
0.215
MAR-TRE-92684b97-60
0.214
AAR-UNI-c25c2f1e-103
0.214
MAR-TRE-0fda4e82-6
0.214
MAR-TRE-0fda4e82-19
0.213
UNK-CYC-68f84b31-32
0.212
MAT-POS-b5746674-124
0.211
MAR-TRE-1c920f6f-11
0.211
MAR-TRE-799db12b-69
0.211
PET-UNK-757f8bc8-1
0.211
LON-WEI-adc59df6-65
0.210
MAR-TRE-3159af1a-25
0.210
UNK-CYC-68f84b31-75
0.210
LON-WEI-4d77710c-70
0.210