Molecular Properties | |
SMILES: | CCN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)C(C)CS(=O)(=O)CC |
MW: | 389.15 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 122.08 |
cLogP: | 1.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
aniline
Long aliphatic chain
UNK-CYC-68f84b31-61
0.646
UNK-CYC-68f84b31-26
0.610
UNK-CYC-68f84b31-48
0.500
UNK-CYC-68f84b31-15
0.489
UNK-CYC-68f84b31-59
0.473
UNK-CYC-68f84b31-79
0.467
UNK-CYC-68f84b31-54
0.467
UNK-CYC-68f84b31-6
0.455
UNK-CYC-68f84b31-14
0.453
UNK-CYC-68f84b31-10
0.446
UNK-CYC-68f84b31-58
0.435
UNK-CYC-68f84b31-39
0.435
UNK-CYC-68f84b31-47
0.427
UNK-CYC-68f84b31-71
0.424
UNK-CYC-68f84b31-52
0.423
UNK-CYC-68f84b31-29
0.422
UNK-CYC-68f84b31-11
0.421
UNK-CYC-68f84b31-3
0.420
UNK-CYC-68f84b31-27
0.415
UNK-CYC-68f84b31-8
0.408
UNK-CYC-68f84b31-44
0.408
UNK-CYC-68f84b31-9
0.408
UNK-CYC-68f84b31-28
0.398
UNK-CYC-68f84b31-30
0.394
UNK-CYC-68f84b31-55
0.389
UNK-CYC-68f84b31-31
0.354
UNK-CYC-68f84b31-34
0.320
UNK-CYC-68f84b31-83
0.278
UNK-CYC-68f84b31-80
0.277
BAR-COM-4e090d3a-14
0.267
UNK-CYC-68f84b31-62
0.261
UNK-CYC-68f84b31-68
0.259
UNK-CYC-68f84b31-51
0.258
UNK-CYC-68f84b31-24
0.258
UNK-CYC-68f84b31-81
0.255
UNK-CYC-68f84b31-60
0.255
UNK-CYC-68f84b31-45
0.252
UNK-CYC-68f84b31-41
0.252
UNK-CYC-68f84b31-90
0.252
MAT-POS-b5746674-123
0.245
UNK-CYC-68f84b31-65
0.245
UNK-CYC-68f84b31-46
0.244
UNK-CYC-68f84b31-73
0.242
UNK-CYC-68f84b31-78
0.237
UNK-CYC-68f84b31-53
0.235
UNK-CYC-68f84b31-7
0.234
UNK-UNK-2ede4078-55
0.234
UNK-CYC-68f84b31-43
0.232
UNK-CYC-68f84b31-38
0.231
MAT-POS-a3f7f96a-4
0.231
UNK-CYC-68f84b31-64
0.227
ALP-POS-02c6a514-33
0.226
JAG-UCB-ef2c0e8e-1
0.223
MAR-TRE-799db12b-63
0.222
GAB-REV-df64cf17-1
0.221
UNK-CYC-68f84b31-66
0.219
MAR-TRE-92684b97-59
0.219
UNK-CYC-68f84b31-32
0.218
SAL-INS-1c7a5a55-1
0.218
UNK-CYC-68f84b31-74
0.217
WIL-UNI-0732ac76-1
0.217
MAT-POS-b5746674-124
0.217
MAR-TRE-8190bb11-1
0.216
UNK-CYC-68f84b31-19
0.216
UNK-CYC-68f84b31-75
0.216
AAR-UNI-c25c2f1e-25
0.215
MAR-TRE-f5c2d31c-6
0.213
MAR-TRE-6c5ef77a-47
0.213
ALP-UNI-fe744232-3
0.213
SIM-DEM-5935bd74-3
0.212
MAK-UNK-9955b1f3-10
0.212
UNK-CYC-68f84b31-42
0.212
MIC-UNK-2744a8e2-2
0.211
MAR-TRE-8190bb11-13
0.211
TRY-UNI-714a760b-21
0.210
MAR-TRE-6c5ef77a-95
0.209
AAR-UNI-c25c2f1e-103
0.209
MAR-TRE-be9ff7d2-31
0.208
MAK-UNK-2c1752f0-1
0.208
MAR-TRE-92684b97-60
0.208
MAR-TRE-66ac689e-22
0.208
DAR-DIA-23aa0b97-3
0.208
PET-SGC-708ec5d8-1
0.208
MAR-TRE-0fda4e82-80
0.207
NIM-UNI-36e12f95-5
0.206
MAR-TRE-9c797165-36
0.206
UNK-CYC-68f84b31-50
0.205
WIL-UNI-354943b6-2
0.205
ALP-POS-780445ae-6
0.205
MAR-TRE-6c5ef77a-81
0.205
DAR-DIA-23aa0b97-8
0.204
MAR-TRE-66ac689e-3
0.204
MAR-TRE-8190bb11-60
0.204
MAR-TRE-92684b97-9
0.204
LON-WEI-4d77710c-70
0.204
MAR-TRE-85681e92-84
0.204
LON-WEI-5e7d1b3e-70
0.204
GAB-REV-df64cf17-17
0.204
MAR-TRE-8190bb11-87
0.204
MAR-TRE-9d18ae8c-80
0.204