Molecular Properties | |
SMILES: | N#CC(NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1c(F)cccc1Cl |
MW: | 422.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 70.71 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
cyanohydrin
N-C-Hal or cyano methyl
high halogen content (>3)
UNK-CYC-68f84b31-65
0.647
UNK-CYC-68f84b31-83
0.553
UNK-CYC-68f84b31-41
0.547
UNK-CYC-68f84b31-68
0.536
UNK-CYC-68f84b31-4
0.533
UNK-CYC-68f84b31-34
0.522
UNK-CYC-68f84b31-81
0.516
UNK-CYC-68f84b31-60
0.516
UNK-CYC-68f84b31-80
0.510
UNK-CYC-68f84b31-45
0.495
UNK-CYC-68f84b31-62
0.480
UNK-CYC-68f84b31-90
0.476
UNK-CYC-68f84b31-31
0.464
UNK-CYC-68f84b31-78
0.453
UNK-CYC-68f84b31-74
0.451
UNK-CYC-68f84b31-64
0.444
UNK-CYC-68f84b31-70
0.431
UNK-CYC-68f84b31-51
0.420
UNK-CYC-68f84b31-46
0.418
UNK-CYC-68f84b31-19
0.416
UNK-CYC-68f84b31-32
0.392
UNK-CYC-68f84b31-43
0.390
UNK-CYC-68f84b31-14
0.390
UNK-CYC-68f84b31-15
0.390
UNK-CYC-68f84b31-24
0.383
UNK-CYC-68f84b31-73
0.377
UNK-CYC-68f84b31-9
0.354
MAR-TRE-799db12b-91
0.352
UNK-CYC-68f84b31-13
0.351
UNK-CYC-68f84b31-79
0.349
UNK-CYC-68f84b31-58
0.346
UNK-CYC-68f84b31-39
0.346
UNK-CYC-68f84b31-30
0.333
UNK-CYC-68f84b31-3
0.327
UNK-CYC-68f84b31-44
0.327
UNK-CYC-68f84b31-26
0.321
UNK-CYC-68f84b31-54
0.321
UNK-CYC-68f84b31-48
0.307
UNK-CYC-68f84b31-8
0.304
UNK-CYC-68f84b31-17
0.302
UNK-CYC-68f84b31-55
0.299
UNK-CYC-68f84b31-10
0.294
UNK-CYC-68f84b31-6
0.288
UNK-CYC-68f84b31-29
0.286
UNK-CYC-68f84b31-59
0.283
UNK-CYC-68f84b31-71
0.274
MAR-TRE-a9136c7b-48
0.273
MAR-TRE-4f781e27-70
0.271
UNK-CYC-68f84b31-52
0.270
BAR-COM-0f94fc3d-16
0.260
MAR-TRE-e82e6c98-43
0.258
UNK-CYC-68f84b31-84
0.256
UNK-CYC-68f84b31-11
0.254
UNK-CYC-68f84b31-61
0.243
UNK-CYC-68f84b31-47
0.240
UNK-CYC-68f84b31-49
0.236
UNK-CYC-68f84b31-12
0.235
MAR-TRE-799db12b-95
0.235
BEN-VAN-5787f7d3-5
0.231
BAR-COM-4e090d3a-2
0.228
MAR-TRE-66ac689e-36
0.227
MAR-TRE-92684b97-99
0.225
AAR-UNI-c25c2f1e-103
0.225
UNK-CYC-68f84b31-27
0.225
MAR-TRE-be9ff7d2-3
0.223
MAR-TRE-9d18ae8c-92
0.223
UNK-CYC-68f84b31-28
0.223
TAT-ENA-80bfd3e5-48
0.221
MAR-TRE-4f781e27-9
0.221
MAR-TRE-04c86cea-54
0.220
MAR-TRE-92684b97-63
0.220
MAR-TRE-a9136c7b-26
0.219
WIL-UNI-1faa9b10-46
0.219
UNK-CYC-68f84b31-38
0.216
JUL-TUD-06b2044f-35
0.214
MAR-TRE-9d18ae8c-87
0.214
MAR-TRE-799db12b-96
0.212
UNK-CYC-68f84b31-37
0.211
MAR-TRE-8190bb11-36
0.210
MAR-TRE-66ac689e-45
0.209
RAV-REL-e0cd5b56-1
0.209
RAV-REL-e0cd5b56-2
0.209
MAR-TRE-66ac689e-58
0.208
CHR-SOS-7098f804-21
0.208
AAR-UNI-c25c2f1e-19
0.207
MAR-TRE-a9136c7b-98
0.206
MAR-TRE-799db12b-58
0.205
FAR-UNI-736b943a-9
0.205
MAR-TRE-04c86cea-14
0.205
JON-UIO-d041ac75-14
0.202
WIL-UNI-1faa9b10-18
0.202
CHR-SOS-7098f804-2
0.202
MAR-TRE-c317dd82-24
0.202
MAR-TRE-799db12b-15
0.202
MAR-TRE-92684b97-32
0.202
MAK-UNK-10dfa458-25
0.202
PET-UNK-9b23ef84-5
0.200
WIL-UNI-1faa9b10-25
0.200
MAR-TRE-799db12b-61
0.200
MAR-UCB-195bc32d-35
0.200