Molecular Properties | |
SMILES: | N#CNC(=O)N(c1ccccc1)C(C(=O)NCC(c1cccnc1)C1CCOCC1)c1cccnc1 |
MW: | 484.22 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 120.24 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
enamine
Filter86_cyanamide
Long aliphatic chain
Aminonitrile
JOE-NOR-4e4adc6b-1
PRA-FNM-52fd7fdf-1
0.570
ALP-POS-e980f4ea-28
0.377
ALP-POS-ced8ea4d-28
0.368
JOE-NOR-4e4adc6b-1
0.364
ALP-POS-02c6a514-21
0.362
ALP-POS-b0bc6a46-13
0.362
BRU-THA-92256091-8
0.359
LON-WEI-adc59df6-39
0.357
LON-WEI-adc59df6-19
0.353
LON-WEI-adc59df6-32
0.353
ALP-POS-305f6ec3-29
0.351
ALP-POS-780445ae-10
0.350
ALP-POS-88a7a97e-29
0.348
ALP-POS-88a7a97e-9
0.347
ALP-POS-02c6a514-57
0.345
ALP-POS-02c6a514-39
0.342
ALP-POS-b0bc6a46-24
0.342
ALP-POS-88a7a97e-26
0.342
ALP-POS-e980f4ea-32
0.341
ALP-POS-780445ae-5
0.339
ALP-POS-88a7a97e-27
0.339
PET-UNK-7d68125a-1
0.339
ALP-POS-02c6a514-17
0.336
ALP-POS-e980f4ea-62
0.336
ALP-POS-e980f4ea-17
0.333
ALP-POS-780445ae-6
0.331
ALP-POS-02c6a514-55
0.331
ALP-POS-02c6a514-11
0.331
JAN-GHE-76def03c-2
0.330
ALP-POS-ced8ea4d-17
0.328
ALP-POS-02c6a514-47
0.328
ALP-POS-b0bc6a46-28
0.328
ALP-POS-e980f4ea-59
0.328
PET-UNK-48ab5cd7-6
0.328
LON-WEI-adc59df6-25
0.328
LON-WEI-adc59df6-83
0.328
MAR-TRE-7f7bb9f0-82
0.327
LON-WEI-adc59df6-30
0.327
BRU-THA-92256091-84
0.326
ALP-POS-ced8ea4d-32
0.326
ALP-POS-02c6a514-5
0.325
ALP-POS-b0bc6a46-5
0.325
PET-UNK-7d68125a-4
0.325
LON-WEI-adc59df6-40
0.325
ALP-POS-88a7a97e-14
0.324
PET-UNK-48ab5cd7-5
0.323
PET-UNK-7d68125a-2
0.322
ALP-POS-02c6a514-37
0.322
ALP-POS-b0bc6a46-22
0.322
PET-UNK-7d68125a-3
0.322
ALP-POS-88a7a97e-30
0.322
NIM-NMI-8bb27a2b-20
0.322
BRU-THA-92256091-80
0.320
ALP-POS-ced8ea4d-62
0.320
PAU-WEI-5b8d5051-2
0.319
ALF-EVA-719172df-6
0.319
ALP-POS-02c6a514-56
0.319
BRU-THA-92256091-83
0.318
PAU-WEI-d9f77348-1
0.317
ALP-POS-b0bc6a46-9
0.317
ALP-POS-02c6a514-15
0.317
ALP-UNI-fe744232-3
0.317
ALP-POS-02c6a514-38
0.317
ALP-POS-b0bc6a46-23
0.317
ALP-POS-88a7a97e-34
0.316
ALP-POS-02c6a514-53
0.316
ALP-POS-02c6a514-54
0.316
ALP-POS-02c6a514-51
0.315
ALP-UNI-c3ef0aba-3
0.315
ALP-POS-02c6a514-6
0.315
ALP-POS-88a7a97e-47
0.315
MAT-POS-f2460aef-2
0.314
LON-WEI-2e27a2e5-1
0.314
MAT-POS-f2460aef-1
0.314
JAN-GHE-76def03c-3
0.314
BRU-THA-92256091-79
0.313
ALP-POS-ced8ea4d-59
0.313
MAR-TRE-4b834d9a-92
0.312
PAU-WEI-ca14c437-1
0.312
ALP-POS-02c6a514-33
0.312
ERI-UCB-fbdd3ea1-33
0.312
ALP-POS-305f6ec3-58
0.312
ALP-POS-b0bc6a46-2
0.311
ALP-POS-02c6a514-2
0.311
RYA-UNI-c3f66fb2-1
0.311
NIM-NMI-8bb27a2b-10
0.311
ALP-POS-e980f4ea-53
0.311
ALP-POS-88a7a97e-33
0.310
ALP-POS-88a7a97e-12
0.310
LON-WEI-adc59df6-26
0.310
NIM-NMI-8bb27a2b-19
0.310
WIL-UNI-354943b6-2
0.310
LON-WEI-adc59df6-44
0.309
ALP-POS-95f71980-4
0.309
ALP-POS-780445ae-4
0.308
ALP-POS-88a7a97e-45
0.308
RYA-UNI-f4a878f6-1
0.308
ALP-POS-02c6a514-41
0.307
ALP-POS-b0bc6a46-25
0.307
ALP-POS-88a7a97e-6
0.307