Molecular Properties | |
SMILES: | CC(C)c1nc(C#N)c(NNC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)o1 |
MW: | 404.12 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.77 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
acyl hydrazine
Hetero_hetero
hydrazine
UNK-CYC-68f84b31-45
0.532
UNK-CYC-68f84b31-65
0.527
UNK-CYC-68f84b31-83
0.526
UNK-CYC-68f84b31-68
0.525
UNK-CYC-68f84b31-4
0.505
UNK-CYC-68f84b31-81
0.505
UNK-CYC-68f84b31-74
0.500
UNK-CYC-68f84b31-34
0.495
UNK-CYC-68f84b31-41
0.490
UNK-CYC-68f84b31-53
0.476
UNK-CYC-68f84b31-60
0.474
UNK-CYC-68f84b31-80
0.471
UNK-CYC-68f84b31-31
0.469
UNK-CYC-68f84b31-70
0.465
UNK-CYC-68f84b31-62
0.456
UNK-CYC-68f84b31-64
0.450
UNK-CYC-68f84b31-78
0.418
UNK-CYC-68f84b31-51
0.412
UNK-CYC-68f84b31-32
0.412
UNK-CYC-68f84b31-46
0.411
UNK-CYC-68f84b31-19
0.408
UNK-CYC-68f84b31-24
0.400
UNK-CYC-68f84b31-43
0.396
UNK-CYC-68f84b31-73
0.383
UNK-CYC-68f84b31-58
0.365
UNK-CYC-68f84b31-13
0.357
UNK-CYC-68f84b31-15
0.356
UNK-CYC-68f84b31-54
0.352
UNK-CYC-68f84b31-36
0.343
UNK-CYC-68f84b31-29
0.325
UNK-CYC-68f84b31-17
0.319
UNK-CYC-68f84b31-79
0.318
UNK-CYC-68f84b31-30
0.317
UNK-CYC-68f84b31-39
0.315
UNK-CYC-68f84b31-8
0.310
UNK-CYC-68f84b31-26
0.303
UNK-CYC-68f84b31-9
0.303
UNK-CYC-68f84b31-44
0.298
UNK-CYC-68f84b31-14
0.298
UNK-CYC-68f84b31-6
0.294
UNK-CYC-68f84b31-48
0.291
UNK-CYC-68f84b31-3
0.288
UNK-CYC-68f84b31-52
0.287
UNK-CYC-68f84b31-71
0.280
UNK-CYC-68f84b31-10
0.279
UNK-CYC-68f84b31-59
0.278
UNK-CYC-68f84b31-55
0.275
UNK-CYC-68f84b31-12
0.252
UNK-CYC-68f84b31-61
0.250
BEN-VAN-5787f7d3-5
0.248
UNK-CYC-68f84b31-11
0.239
UNK-CYC-68f84b31-28
0.238
UNK-CYC-68f84b31-47
0.236
BAR-COM-4e090d3a-2
0.234
FAR-UNI-736b943a-9
0.233
UNK-CYC-68f84b31-49
0.232
UNK-CYC-68f84b31-27
0.231
MAR-TRE-a3327163-89
0.227
MAT-POS-a3f7f96a-4
0.222
MAR-TRE-1c920f6f-87
0.218
MAR-TRE-0fda4e82-44
0.217
UNK-CYC-68f84b31-37
0.217
MAR-TRE-0fda4e82-86
0.214
JOH-UNI-c7afdb96-8
0.214
MAR-TRE-f6f5f473-41
0.212
AAR-UNI-c25c2f1e-103
0.211
JOH-UNI-c7afdb96-7
0.210
MAK-UNK-10dfa458-25
0.208
UNK-CYC-68f84b31-18
0.207
DAR-DIA-bd041b9b-26
0.206
JOH-UNI-c7afdb96-6
0.206
AAR-UNI-c25c2f1e-74
0.205
UNK-CYC-68f84b31-7
0.205
BEN-VAN-5787f7d3-13
0.205
MAR-TRE-799db12b-75
0.204
MAR-TRE-14ce9fd6-43
0.204
MAT-POS-b5746674-123
0.203
UNK-CYC-68f84b31-84
0.203
AAR-UNI-c25c2f1e-94
0.200
MAR-LAB-ff9967db-18
0.200
RIT-AID-50eb7195-1
0.200
DRA-CSI-7ec17797-2
0.200
MAR-TRE-04c86cea-54
0.198
MAR-TRE-0fda4e82-90
0.198
MAK-UNK-10dfa458-24
0.198
MAR-TRE-f6f5f473-42
0.197
UNK-CYC-68f84b31-88
0.197
DRA-CSI-7ec17797-6
0.197
UNK-CYC-68f84b31-69
0.197
MAR-TRE-14ce9fd6-37
0.197
ARI-TAT-26e9d03d-1
0.196
WIL-UNI-2a57d06c-45
0.195
AAR-UNI-c25c2f1e-12
0.195
MAK-UNK-9159f8ed-6
0.195
MAR-TRE-799db12b-45
0.195
MAR-TRE-799db12b-49
0.195
MAK-UNK-1e8f9e3c-1
0.195
MAR-TRE-66ac689e-45
0.195
MAR-TRE-8190bb11-36
0.194
UNK-CYC-68f84b31-67
0.194