Molecular Properties | |
SMILES: | CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 411.15 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 105.12 |
cLogP: | 1.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
alpha_dicarbonyl
diketo group
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
α-Diketones
Filter20_hydrazine
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
acyl hydrazine
Long aliphatic chain
Hetero_hetero
hydrazine
Oxalyl
UNK-CYC-68f84b31-34
0.610
UNK-CYC-68f84b31-4
0.605
UNK-CYC-68f84b31-74
0.591
UNK-CYC-68f84b31-65
0.571
UNK-CYC-68f84b31-70
0.568
UNK-CYC-68f84b31-83
0.568
UNK-CYC-68f84b31-81
0.565
UNK-CYC-68f84b31-60
0.565
UNK-CYC-68f84b31-68
0.549
UNK-CYC-68f84b31-41
0.544
UNK-CYC-68f84b31-62
0.538
UNK-CYC-68f84b31-80
0.538
UNK-CYC-68f84b31-90
0.532
UNK-CYC-68f84b31-64
0.517
UNK-CYC-68f84b31-78
0.505
UNK-CYC-68f84b31-43
0.500
UNK-CYC-68f84b31-53
0.495
UNK-CYC-68f84b31-31
0.489
UNK-CYC-68f84b31-73
0.419
UNK-CYC-68f84b31-32
0.411
UNK-CYC-68f84b31-46
0.410
UNK-CYC-68f84b31-19
0.406
UNK-CYC-68f84b31-17
0.402
UNK-CYC-68f84b31-24
0.398
UNK-CYC-68f84b31-51
0.398
UNK-CYC-68f84b31-58
0.389
UNK-CYC-68f84b31-54
0.375
UNK-CYC-68f84b31-15
0.365
UNK-CYC-68f84b31-13
0.340
UNK-CYC-68f84b31-39
0.333
UNK-CYC-68f84b31-8
0.327
UNK-CYC-68f84b31-79
0.324
UNK-CYC-68f84b31-26
0.320
UNK-CYC-68f84b31-44
0.314
UNK-CYC-68f84b31-52
0.314
UNK-CYC-68f84b31-55
0.308
UNK-CYC-68f84b31-29
0.306
UNK-CYC-68f84b31-14
0.302
UNK-CYC-68f84b31-30
0.299
UNK-CYC-68f84b31-3
0.291
UNK-CYC-68f84b31-9
0.283
UNK-CYC-68f84b31-10
0.281
UNK-CYC-68f84b31-59
0.280
UNK-CYC-68f84b31-6
0.274
UNK-CYC-68f84b31-48
0.270
UNK-CYC-68f84b31-71
0.259
AAR-UNI-c25c2f1e-89
0.256
UNK-CYC-68f84b31-12
0.252
UNK-CYC-68f84b31-61
0.250
BEN-VAN-5787f7d3-5
0.248
BAR-COM-4e090d3a-2
0.244
UNK-CYC-68f84b31-11
0.239
MAR-TRE-92684b97-66
0.237
AAR-UNI-c25c2f1e-94
0.231
AAR-UNI-c25c2f1e-103
0.230
UNK-CYC-68f84b31-27
0.230
UNK-CYC-68f84b31-47
0.225
MAR-TRE-799db12b-75
0.223
UNK-CYC-68f84b31-40
0.221
UNK-CYC-68f84b31-49
0.220
UNK-CYC-68f84b31-28
0.218
MAR-TRE-be9ff7d2-47
0.217
BAR-COM-0f94fc3d-13
0.216
MAR-TRE-9d18ae8c-80
0.216
NAU-LAT-e1818702-11
0.216
MAR-TRE-04c86cea-54
0.215
ARI-TAT-5792557e-18
0.214
MAR-TRE-8190bb11-36
0.214
MAR-TRE-66ac689e-45
0.214
MAK-UNK-1e8f9e3c-1
0.213
MAK-UNK-9159f8ed-6
0.213
MAR-TRE-799db12b-45
0.213
MAR-TRE-799db12b-49
0.213
ALP-POS-ced8ea4d-37
0.213
AAR-UNI-c25c2f1e-12
0.212
NIL-NON-a189c016-1
0.211
MAT-POS-162a9720-2
0.211
ARI-TAT-5792557e-28
0.210
MAR-TRE-799db12b-63
0.210
MAR-TRE-f6f5f473-41
0.210
UNK-UNK-2ede4078-24
0.209
MAK-UNK-7a704a63-9
0.208
WIL-UNI-1faa9b10-7
0.208
ALP-POS-95f71980-10
0.207
MAR-LAB-ff9967db-18
0.207
JAG-UCB-a3ef7265-21
0.206
ALP-POS-95f71980-35
0.206
MAR-TRE-799db12b-69
0.206
MAK-UNK-10dfa458-25
0.205
MAR-TRE-3159af1a-25
0.205
UNK-CYC-68f84b31-37
0.205
MAK-UNK-c8c8f7e2-20
0.204
MAR-TRE-a9136c7b-93
0.204
MAK-UNK-1e8f9e3c-3
0.204
ERI-UCB-fbdd3ea1-3
0.203
MAR-TRE-f6f5f473-42
0.203
MAR-UCB-195bc32d-35
0.203
MAK-UNK-e4a48a85-3
0.202
ALP-POS-d0876c20-5
0.202
ARI-TAT-26e9d03d-1
0.201