Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cccc(C(=O)OC(=O)Nc2cccc(N3CCCC3=O)c2)c1 |
MW: | 417.443 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 121.88 |
cLogP: | 2.5738 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
anhydride
beta-keto/anhydride
Acid anhydrides and analogues
Filter27_anhydride
Filter71_thio_anhydride
carbamate include di-substitued N
anhydride
Ester
Hetero_hetero
LON-WEI-8f408cad-1
MAK-UNK-9159f8ed-4
0.694
MAK-UNK-9159f8ed-6
0.675
MAK-UNK-1e8f9e3c-1
0.675
MAK-UNK-9159f8ed-7
0.639
MAK-UNK-9159f8ed-2
0.609
MAK-UNK-9159f8ed-3
0.602
MAK-UNK-9159f8ed-1
0.589
MAK-UNK-10dfa458-32
0.558
MAK-UNK-10dfa458-25
0.533
MAK-UNK-6435e6c2-4
0.520
MAK-UNK-7a704a63-9
0.506
MAK-UNK-10dfa458-23
0.505
MAK-UNK-c8c8f7e2-16
0.494
MAK-UNK-c8c8f7e2-15
0.494
MAK-UNK-7a704a63-8
0.494
MAK-UNK-7a704a63-10
0.487
LON-WEI-8f408cad-1
0.487
MAK-UNK-10dfa458-22
0.487
AAR-POS-0daf6b7e-11
0.487
MAK-UNK-1e8f9e3c-3
0.478
MAK-UNK-c8c8f7e2-17
0.476
MAK-UNK-1e8f9e3c-2
0.473
MAK-UNK-10dfa458-3
0.469
MAK-UNK-c8c8f7e2-18
0.452
MAK-UNK-6435e6c2-7
0.440
AAR-POS-0daf6b7e-31
0.440
MAK-UNK-1e8f9e3c-5
0.415
MAK-UNK-1e8f9e3c-4
0.398
MAK-UNK-902cc841-3
0.394
MAK-UNK-902cc841-4
0.382
MAK-UNK-c8c8f7e2-1
0.369
MAK-UNK-c8c8f7e2-30
0.369
MAK-UNK-902cc841-11
0.366
AAR-UNI-c25c2f1e-61
0.366
MAK-UNK-c8c8f7e2-3
0.365
MAK-UNK-c8c8f7e2-20
0.353
MAK-UNK-1e8f9e3c-6
0.350
BAR-COM-0f94fc3d-53
0.350
MAK-UNK-c8c8f7e2-4
0.349
MAK-UNK-7a704a63-11
0.349
MAK-UNK-c8c8f7e2-2
0.349
MAK-UNK-c8c8f7e2-5
0.344
MAK-UNK-902cc841-13
0.343
MAK-UNK-c8c8f7e2-6
0.333
MAR-TRE-2fd8122f-39
0.333
MAK-UNK-c8c8f7e2-8
0.330
MAK-UNK-c8c8f7e2-33
0.330
MAK-UNK-c8c8f7e2-34
0.330
MAR-TRE-799db12b-49
0.327
MAK-UNK-c8c8f7e2-7
0.326
MAK-UNK-7a704a63-23
0.326
MAK-UNK-c8c8f7e2-31
0.322
MAK-UNK-7a704a63-24
0.322
MAK-UNK-c8c8f7e2-14
0.322
MAK-UNK-7a704a63-20
0.322
MAK-UNK-7a704a63-2
0.322
MAK-UNK-c8c8f7e2-11
0.318
MAK-UNK-c8c8f7e2-43
0.318
MAK-UNK-7a704a63-18
0.318
MAK-UNK-7a704a63-6
0.318
MAK-UNK-7a704a63-3
0.318
MAK-UNK-c8c8f7e2-13
0.318
MAK-UNK-c8c8f7e2-41
0.318
BAR-COM-4e090d3a-60
0.317
MAK-UNK-c8c8f7e2-32
0.315
MAK-UNK-c8c8f7e2-12
0.315
MAK-UNK-7a704a63-7
0.315
MAK-UNK-c8c8f7e2-42
0.315
MAR-TRE-799db12b-69
0.307
MAK-UNK-7a704a63-17
0.307
MAK-UNK-c8c8f7e2-40
0.307
AAR-UNI-c25c2f1e-103
0.303
MAK-UNK-c8c8f7e2-44
0.300
MAR-TRE-a9136c7b-57
0.300
MAK-UNK-c8c8f7e2-37
0.297
MAK-UNK-7a704a63-21
0.297
MAK-UNK-902cc841-12
0.295
MAK-UNK-7a704a63-5
0.292
MAK-UNK-c8c8f7e2-10
0.292
MAK-UNK-7a704a63-12
0.292
MAR-TRE-67513f76-4
0.287
MAK-UNK-c8c8f7e2-25
0.287
MAK-UNK-902cc841-14
0.287
BEN-VAN-5787f7d3-11
0.284
WIL-UNI-1faa9b10-2
0.284
MAK-UNK-c8c8f7e2-38
0.283
MAK-UNK-7a704a63-22
0.280
MAK-UNK-7a704a63-13
0.278
MAK-UNK-c8c8f7e2-26
0.278
MAK-UNK-c8c8f7e2-29
0.277
MAK-UNK-c8c8f7e2-28
0.277
MAK-UNK-7a704a63-14
0.277
MAR-TRE-fd17a9b8-52
0.276
MAK-UNK-7a704a63-16
0.275
MAK-UNK-c8c8f7e2-39
0.275
MAK-UNK-c8c8f7e2-9
0.275
MAK-UNK-7a704a63-4
0.275
BEN-VAN-5787f7d3-12
0.274
DOU-UNK-b5326f8f-9
0.274
WIL-UNI-1faa9b10-7
0.272