Molecular Properties | |
SMILES: | N#Cc1cnn(-c2cccc(C(=O)NCC(O)COc3cccc(C(F)(F)F)c3)c2)c1N |
MW: | 445.14 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 126.19 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
aniline
UNK-CYC-68f84b31-58
0.562
UNK-CYC-68f84b31-54
0.515
UNK-CYC-68f84b31-79
0.500
UNK-CYC-68f84b31-15
0.490
UNK-CYC-68f84b31-9
0.468
UNK-CYC-68f84b31-14
0.458
UNK-CYC-68f84b31-26
0.456
UNK-CYC-68f84b31-3
0.455
UNK-CYC-68f84b31-59
0.449
UNK-CYC-68f84b31-39
0.442
UNK-CYC-68f84b31-6
0.434
UNK-CYC-68f84b31-71
0.432
UNK-CYC-68f84b31-48
0.432
UNK-CYC-68f84b31-8
0.431
UNK-CYC-68f84b31-44
0.431
UNK-CYC-68f84b31-52
0.431
UNK-CYC-68f84b31-29
0.430
UNK-CYC-68f84b31-61
0.417
UNK-CYC-68f84b31-10
0.414
UNK-CYC-68f84b31-12
0.394
UNK-CYC-68f84b31-11
0.391
UNK-CYC-68f84b31-28
0.385
UNK-CYC-68f84b31-55
0.367
UNK-CYC-68f84b31-47
0.364
UNK-CYC-68f84b31-83
0.345
UNK-CYC-68f84b31-60
0.336
UNK-CYC-68f84b31-53
0.333
UNK-CYC-68f84b31-80
0.331
UNK-CYC-68f84b31-65
0.327
UNK-CYC-68f84b31-68
0.325
UNK-CYC-68f84b31-27
0.323
UNK-CYC-68f84b31-41
0.319
UNK-CYC-68f84b31-90
0.317
UNK-CYC-68f84b31-62
0.317
UNK-CYC-68f84b31-81
0.313
UNK-CYC-68f84b31-78
0.312
UNK-CYC-68f84b31-24
0.310
UNK-CYC-68f84b31-34
0.304
UNK-CYC-68f84b31-45
0.299
UNK-CYC-68f84b31-46
0.297
UNK-CYC-68f84b31-51
0.290
UNK-CYC-68f84b31-70
0.289
UNK-CYC-68f84b31-4
0.287
UNK-CYC-68f84b31-64
0.286
UNK-CYC-68f84b31-74
0.285
UNK-CYC-68f84b31-31
0.277
UNK-CYC-68f84b31-49
0.266
UNK-CYC-68f84b31-73
0.265
UNK-CYC-68f84b31-37
0.260
UNK-CYC-68f84b31-43
0.258
MAT-POS-a3f7f96a-4
0.256
BAR-COM-4e090d3a-14
0.248
UNK-CYC-68f84b31-67
0.244
UNK-CYC-68f84b31-19
0.244
AAR-UNI-c25c2f1e-103
0.236
UNK-CYC-68f84b31-32
0.236
MAR-TRE-66ac689e-98
0.230
MAR-UCB-195bc32d-32
0.227
MAR-LAB-ff9967db-18
0.225
MAR-TRE-8190bb11-36
0.223
UNK-CYC-68f84b31-13
0.221
MAR-TRE-799db12b-75
0.220
LON-WEI-adc59df6-66
0.220
UNK-CYC-68f84b31-40
0.219
MAR-TRE-799db12b-90
0.218
ALP-POS-02c6a514-43
0.218
ALP-POS-b0bc6a46-27
0.218
DAR-DIA-0cde14eb-76
0.217
ALP-POS-95b75b4d-3
0.217
JAN-GHE-83b26c96-14
0.217
JOH-UNI-61f30276-4
0.217
WIL-UNI-1faa9b10-7
0.217
RAL-MED-2de63afb-5
0.217
MAR-TRE-4f781e27-84
0.216
KEI-TRE-d5e2018a-94
0.216
GAB-FAC-0d239413-1
0.216
LON-WEI-5e7d1b3e-69
0.214
UNK-CYC-68f84b31-75
0.214
MAT-POS-b5746674-73
0.214
LON-WEI-4d77710c-69
0.214
AUS-ARG-7cfdce8f-12
0.214
JOH-UNI-abfda500-7
0.214
MAR-TRE-9d18ae8c-80
0.214
MAR-TRE-799db12b-87
0.212
BAR-COM-4e090d3a-2
0.212
MAR-TRE-a9136c7b-5
0.211
UNK-CYC-68f84b31-7
0.211
MAR-TRE-66ac689e-28
0.211
UNK-CYC-68f84b31-17
0.211
UNK-CYC-68f84b31-42
0.210
MAR-TRE-799db12b-48
0.210
MAT-POS-90fd5f68-5
0.209
MAT-POS-162a9720-2
0.209
NIL-NON-a189c016-1
0.209
UNK-CYC-68f84b31-84
0.209
MAR-TRE-a9136c7b-78
0.208
GAB-REV-df64cf17-1
0.208
UNK-CYC-68f84b31-38
0.208
MAR-TRE-6c5ef77a-95
0.208
UNK-CYC-68f84b31-25
0.207