Molecular Properties | |
SMILES: | N#Cc1cnn(-c2cccc(C(=O)NNC(=O)c3ccc(F)cc3Br)c2)c1N |
MW: | 442.02 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 125.83 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter9_metal
Filter20_hydrazine
aniline
aryl bromide
acyl hydrazine
Hetero_hetero
hydrazine
UNK-CYC-68f84b31-44
0.671
UNK-CYC-68f84b31-54
0.639
UNK-CYC-68f84b31-58
0.639
UNK-CYC-68f84b31-39
0.600
UNK-CYC-68f84b31-52
0.560
UNK-CYC-68f84b31-15
0.552
UNK-CYC-68f84b31-79
0.527
UNK-CYC-68f84b31-26
0.511
UNK-CYC-68f84b31-29
0.505
UNK-CYC-68f84b31-14
0.495
UNK-CYC-68f84b31-3
0.490
UNK-CYC-68f84b31-59
0.484
UNK-CYC-68f84b31-6
0.480
UNK-CYC-68f84b31-9
0.475
UNK-CYC-68f84b31-71
0.465
UNK-CYC-68f84b31-48
0.450
UNK-CYC-68f84b31-11
0.448
UNK-CYC-68f84b31-30
0.431
UNK-CYC-68f84b31-10
0.429
UNK-CYC-68f84b31-55
0.425
UNK-CYC-68f84b31-61
0.418
UNK-CYC-68f84b31-12
0.408
UNK-CYC-68f84b31-28
0.384
UNK-CYC-68f84b31-47
0.373
UNK-CYC-68f84b31-27
0.363
UNK-CYC-68f84b31-4
0.340
UNK-CYC-68f84b31-70
0.327
UNK-CYC-68f84b31-45
0.327
UNK-CYC-68f84b31-41
0.312
UNK-CYC-68f84b31-90
0.310
UNK-CYC-68f84b31-74
0.309
UNK-CYC-68f84b31-53
0.304
UNK-CYC-68f84b31-83
0.303
UNK-CYC-68f84b31-65
0.295
UNK-CYC-68f84b31-24
0.292
UNK-CYC-68f84b31-80
0.289
UNK-CYC-68f84b31-62
0.286
UNK-CYC-68f84b31-68
0.283
UNK-CYC-68f84b31-34
0.283
UNK-CYC-68f84b31-60
0.280
UNK-CYC-68f84b31-81
0.280
UNK-CYC-68f84b31-46
0.277
UNK-CYC-68f84b31-64
0.264
BAR-COM-4e090d3a-14
0.257
UNK-CYC-68f84b31-78
0.250
BAR-COM-4e090d3a-2
0.246
MAR-TRE-8190bb11-1
0.245
UNK-CYC-68f84b31-19
0.241
UNK-CYC-68f84b31-51
0.240
MAR-TRE-8190bb11-22
0.240
MAR-TRE-92684b97-60
0.237
MAR-TRE-a9136c7b-12
0.236
UNK-CYC-68f84b31-31
0.232
MAR-TRE-8190bb11-36
0.230
MAR-TRE-04c86cea-54
0.228
MAR-TRE-9d18ae8c-10
0.227
MAR-TRE-6c5ef77a-45
0.227
MAR-TRE-92684b97-66
0.227
MAR-TRE-799db12b-75
0.226
GAB-REV-df64cf17-1
0.224
UNK-CYC-68f84b31-43
0.224
UNK-CYC-68f84b31-73
0.224
GAB-FAC-0d239413-1
0.221
MAK-UNK-10dfa458-24
0.220
MAR-TRE-f5c2d31c-6
0.216
MAR-TRE-6c5ef77a-47
0.216
MAR-TRE-66ac689e-28
0.216
MAT-POS-b5746674-118
0.214
MAT-POS-b5746674-123
0.214
MAR-TRE-66ac689e-68
0.214
VIT-UNK-2a0afa28-3
0.214
MAR-TRE-6c5ef77a-95
0.213
MAR-TRE-0fda4e82-47
0.213
MAR-TRE-92684b97-59
0.210
MAT-POS-b5746674-124
0.209
MAK-UNK-10dfa458-25
0.209
BEN-VAN-5787f7d3-5
0.208
MAR-TRE-e82e6c98-19
0.208
MAR-TRE-8190bb11-60
0.208
MAR-TRE-92684b97-91
0.208
WIL-UNI-1faa9b10-44
0.208
AAR-UNI-c25c2f1e-25
0.207
UNK-CYC-68f84b31-18
0.207
MAR-TRE-92684b97-49
0.207
PET-UNK-7d68125a-2
0.206
MAR-TRE-8190bb11-37
0.206
MAR-UCB-195bc32d-53
0.206
UNK-CYC-68f84b31-7
0.205
MAR-TRE-8190bb11-15
0.204
MAR-TRE-a9136c7b-33
0.204
MAR-TRE-92684b97-18
0.204
MAR-TRE-0fda4e82-84
0.204
BEN-DND-76ad4ac9-4
0.202
MAR-TRE-a3327163-46
0.202
FAR-UNI-736b943a-9
0.202
UNK-CYC-68f84b31-32
0.200
MAK-UNK-942dcb71-4
0.200
AAR-UNI-c25c2f1e-94
0.200
MAR-TRE-0fda4e82-1
0.200
UNK-CYC-68f84b31-1
0.200