Molecular Properties | |
SMILES: | O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 442.02 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 76.02 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
high halogen content (>3)
acyl hydrazine
Hetero_hetero
hydrazine
UNK-CYC-68f84b31-45
0.605
UNK-CYC-68f84b31-70
0.576
UNK-CYC-68f84b31-74
0.563
UNK-CYC-68f84b31-39
0.561
UNK-CYC-68f84b31-53
0.533
UNK-CYC-68f84b31-65
0.524
UNK-CYC-68f84b31-34
0.524
UNK-CYC-68f84b31-60
0.518
UNK-CYC-68f84b31-81
0.518
UNK-CYC-68f84b31-64
0.506
UNK-CYC-68f84b31-90
0.505
UNK-CYC-68f84b31-83
0.489
UNK-CYC-68f84b31-41
0.484
UNK-CYC-68f84b31-62
0.478
UNK-CYC-68f84b31-68
0.473
UNK-CYC-68f84b31-78
0.464
UNK-CYC-68f84b31-80
0.463
UNK-CYC-68f84b31-46
0.440
UNK-CYC-68f84b31-19
0.440
UNK-CYC-68f84b31-31
0.429
UNK-CYC-68f84b31-73
0.422
UNK-CYC-68f84b31-51
0.413
UNK-CYC-68f84b31-58
0.407
UNK-CYC-68f84b31-24
0.387
UNK-CYC-68f84b31-32
0.368
UNK-CYC-68f84b31-44
0.367
UNK-CYC-68f84b31-43
0.367
UNK-CYC-68f84b31-13
0.366
UNK-CYC-68f84b31-54
0.362
UNK-CYC-68f84b31-17
0.350
UNK-CYC-68f84b31-8
0.340
UNK-CYC-68f84b31-15
0.323
UNK-CYC-68f84b31-29
0.306
UNK-CYC-68f84b31-52
0.301
UNK-CYC-68f84b31-30
0.287
UNK-CYC-68f84b31-55
0.286
UNK-CYC-68f84b31-79
0.284
UNK-CYC-68f84b31-9
0.270
UNK-CYC-68f84b31-3
0.266
UNK-CYC-68f84b31-71
0.257
UNK-CYC-68f84b31-26
0.255
UNK-CYC-68f84b31-59
0.255
UNK-CYC-68f84b31-14
0.252
UNK-CYC-68f84b31-10
0.246
BAR-COM-4e090d3a-2
0.241
UNK-CYC-68f84b31-6
0.239
JON-UNI-bb9dc649-15
0.237
CHR-SOS-7098f804-21
0.236
UNK-CYC-68f84b31-11
0.236
MAK-UNK-1e8f9e3c-3
0.235
UNK-CYC-68f84b31-48
0.234
MAK-UNK-9159f8ed-6
0.233
MAK-UNK-1e8f9e3c-1
0.233
DRA-CSI-7ec17797-6
0.232
BRU-UNI-248b30bc-29
0.230
AAR-UNI-c25c2f1e-103
0.227
MAR-TRE-be9ff7d2-78
0.223
BEN-VAN-5787f7d3-5
0.223
DRA-CSI-7ec17797-2
0.223
UNK-CYC-68f84b31-47
0.222
RAV-REL-e0cd5b56-2
0.221
MAT-POS-162a9720-2
0.220
NIL-NON-a189c016-1
0.220
MAR-TRE-92684b97-66
0.220
JUL-TUD-06b2044f-157
0.219
UNK-UNK-2ede4078-24
0.217
LON-WEI-b2874fec-9
0.217
UNK-CYC-68f84b31-27
0.217
UNK-UNK-2ede4078-76
0.214
MAR-TRE-7f7bb9f0-54
0.214
MAR-TRE-799db12b-69
0.214
CHR-SOS-7098f804-12
0.213
DRA-CSI-0a78d9ba-4
0.213
MAK-UNK-10dfa458-25
0.213
NAU-LAT-e1818702-11
0.212
MAR-TRE-04c86cea-54
0.212
MAR-TRE-66ac689e-54
0.212
DRA-CSI-7ec17797-15
0.211
MAK-UNK-c8c8f7e2-18
0.211
BEN-DND-1e24cf73-3
0.210
INS-INS-7e24ab41-1
0.210
JUL-TUD-06b2044f-37
0.210
MAR-TRE-9d18ae8c-65
0.210
RAV-REL-e0cd5b56-1
0.210
UNK-CYC-68f84b31-7
0.209
EDJ-MED-c7fc9efa-3
0.207
BEN-DND-76ad4ac9-4
0.207
MAR-TRE-3159af1a-61
0.206
MAR-TRE-04c86cea-14
0.205
UNK-CYC-68f84b31-28
0.205
AAR-POS-0daf6b7e-11
0.204
LON-WEI-8f408cad-1
0.204
MAK-UNK-7a704a63-10
0.204
MAR-TRE-8190bb11-62
0.204
LON-WEI-120e5cf5-19
0.204
MAK-UNK-1e8f9e3c-2
0.204
SAD-SAT-7d5528d9-7
0.204
KEI-TRE-d5e2018a-94
0.204
MAR-LAB-ff9967db-18
0.204
MIC-UNK-8686cf1d-8
0.203