Molecular Properties | |
SMILES: | COC(=O)c1cccc(NS(=O)(=O)C(=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: | ✔️ |
thioester
Thiocarboxylic acids and their derivatives
Filter81_Thiocarbamate
Ester
Hetero_hetero
reactive_carbonyls
LON-WEI-8f408cad-1
MAK-UNK-9159f8ed-3
0.705
MAK-UNK-9159f8ed-1
0.682
MAK-UNK-9159f8ed-5
0.609
MAK-UNK-9159f8ed-4
0.582
MAK-UNK-9159f8ed-6
0.576
MAK-UNK-1e8f9e3c-1
0.576
MAK-UNK-10dfa458-32
0.558
MAK-UNK-10dfa458-25
0.551
MAK-UNK-9159f8ed-7
0.528
MAK-UNK-6435e6c2-4
0.520
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-10dfa458-22
0.487
MAK-UNK-7a704a63-9
0.487
MAK-UNK-10dfa458-3
0.487
MAK-UNK-1e8f9e3c-3
0.478
MAK-UNK-c8c8f7e2-17
0.476
MAK-UNK-1e8f9e3c-2
0.473
MAK-UNK-7a704a63-10
0.469
LON-WEI-8f408cad-1
0.469
AAR-POS-0daf6b7e-11
0.469
MAK-UNK-c8c8f7e2-18
0.452
MAK-UNK-1e8f9e3c-5
0.430
AAR-POS-0daf6b7e-31
0.421
MAK-UNK-6435e6c2-7
0.421
MAK-UNK-1e8f9e3c-4
0.412
MAK-UNK-902cc841-3
0.394
AAR-UNI-c25c2f1e-61
0.394
MAK-UNK-c8c8f7e2-30
0.386
MAK-UNK-902cc841-4
0.382
MAK-UNK-c8c8f7e2-20
0.369
MAK-UNK-c8c8f7e2-1
0.369
MAK-UNK-902cc841-12
0.360
MAK-UNK-c8c8f7e2-31
0.352
MAK-UNK-1e8f9e3c-6
0.350
BAR-COM-0f94fc3d-53
0.350
MAK-UNK-c8c8f7e2-3
0.349
MAK-UNK-c8c8f7e2-2
0.349
MAK-UNK-c8c8f7e2-4
0.349
MAK-UNK-7a704a63-11
0.349
MAR-TRE-2fd8122f-39
0.347
MAK-UNK-c8c8f7e2-5
0.344
MAK-UNK-7a704a63-23
0.341
MAK-UNK-7a704a63-24
0.337
MAK-UNK-902cc841-14
0.337
MAK-UNK-7a704a63-18
0.333
MAK-UNK-c8c8f7e2-6
0.333
MAK-UNK-c8c8f7e2-41
0.333
MAK-UNK-c8c8f7e2-32
0.330
MAK-UNK-c8c8f7e2-34
0.330
MAK-UNK-c8c8f7e2-33
0.330
MAR-TRE-799db12b-49
0.327
MAK-UNK-c8c8f7e2-40
0.322
MAK-UNK-c8c8f7e2-14
0.322
MAK-UNK-7a704a63-20
0.322
MAK-UNK-7a704a63-2
0.322
MAK-UNK-7a704a63-17
0.322
MAR-TRE-799db12b-69
0.320
MAK-UNK-7a704a63-3
0.318
MAK-UNK-7a704a63-6
0.318
MAK-UNK-c8c8f7e2-13
0.318
MAK-UNK-c8c8f7e2-11
0.318
MAK-UNK-c8c8f7e2-43
0.318
BAR-COM-4e090d3a-60
0.317
MAK-UNK-c8c8f7e2-8
0.315
MAK-UNK-c8c8f7e2-12
0.315
MAK-UNK-7a704a63-7
0.315
MAK-UNK-c8c8f7e2-42
0.315
MAR-TRE-a9136c7b-57
0.313
MAK-UNK-c8c8f7e2-7
0.312
BEN-VAN-5787f7d3-12
0.309
BEN-VAN-5787f7d3-11
0.308
AAR-UNI-c25c2f1e-103
0.303
MAK-UNK-7a704a63-21
0.297
MAK-UNK-c8c8f7e2-37
0.297
MAK-UNK-7a704a63-22
0.293
MAK-UNK-7a704a63-5
0.292
MAK-UNK-c8c8f7e2-10
0.292
MAK-UNK-c8c8f7e2-29
0.290
MAK-UNK-902cc841-11
0.290
MAK-UNK-7a704a63-16
0.289
MAK-UNK-c8c8f7e2-39
0.289
MAK-UNK-c8c8f7e2-25
0.287
DOU-UNK-b5326f8f-9
0.286
MAK-UNK-c8c8f7e2-44
0.286
LON-WEI-adc59df6-24
0.284
DAV-IMP-59dd6621-22
0.284
MAK-UNK-7a704a63-1
0.281
BEN-VAN-5787f7d3-10
0.278
MAK-UNK-c8c8f7e2-28
0.277
MAK-UNK-7a704a63-14
0.277
MAR-TRE-9d18ae8c-65
0.276
MAR-TRE-fd17a9b8-52
0.276
MAK-UNK-c8c8f7e2-9
0.275
MAK-UNK-7a704a63-4
0.275
MAR-TRE-67513f76-4
0.274
MAK-UNK-902cc841-13
0.270
MAK-UNK-c8c8f7e2-38
0.269