Molecular Properties | |
SMILES: | N#CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 |
MW: | 442.09 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 145.67 |
cLogP: | 1.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
cyanate/aminonitrile/thiocyanate
Thiocyanates
Filter67_S_or_O_C_triplebond_N
thio cyanates
sulfonyl cyanide
Ester
Hetero_hetero
LON-WEI-8f408cad-3
MAK-UNK-9159f8ed-4
0.788
MAK-UNK-10dfa458-25
0.659
MAK-UNK-10dfa458-23
0.626
MAK-UNK-9159f8ed-1
0.589
MAK-UNK-9159f8ed-5
0.558
MAK-UNK-9159f8ed-2
0.558
MAK-UNK-9159f8ed-3
0.533
MAK-UNK-1e8f9e3c-1
0.495
MAK-UNK-9159f8ed-6
0.495
MAK-UNK-10dfa458-22
0.494
MAK-UNK-7a704a63-10
0.494
LON-WEI-8f408cad-1
0.494
AAR-POS-0daf6b7e-11
0.494
MAK-UNK-7a704a63-9
0.494
MAK-UNK-9159f8ed-7
0.469
MAK-UNK-1e8f9e3c-3
0.469
MAK-UNK-c8c8f7e2-15
0.464
MAK-UNK-7a704a63-8
0.464
MAK-UNK-6435e6c2-4
0.452
MAK-UNK-c8c8f7e2-17
0.433
MAK-UNK-c8c8f7e2-16
0.432
MAK-UNK-c8c8f7e2-18
0.429
MAK-UNK-10dfa458-3
0.427
MAK-UNK-1e8f9e3c-5
0.424
MAK-UNK-1e8f9e3c-4
0.422
MAK-UNK-1e8f9e3c-2
0.408
AAR-UNI-c25c2f1e-61
0.364
MAK-UNK-1e8f9e3c-6
0.362
MAR-TRE-2fd8122f-39
0.359
MAK-UNK-902cc841-4
0.355
MAK-UNK-902cc841-3
0.352
MAK-UNK-c8c8f7e2-30
0.337
WIL-UNI-1faa9b10-16
0.337
MAR-TRE-3e4e6814-63
0.324
MAK-UNK-c8c8f7e2-1
0.323
MAK-UNK-7a704a63-20
0.323
MAK-UNK-c8c8f7e2-20
0.323
MAK-UNK-c8c8f7e2-3
0.319
MAK-UNK-c8c8f7e2-5
0.316
MAK-UNK-c8c8f7e2-12
0.316
MAK-UNK-7a704a63-7
0.316
MAK-UNK-c8c8f7e2-33
0.316
BAR-COM-0f94fc3d-53
0.312
MAR-TRE-799db12b-69
0.308
MAK-UNK-c8c8f7e2-6
0.306
BAR-COM-4e090d3a-60
0.306
MAK-UNK-c8c8f7e2-4
0.305
MAK-UNK-7a704a63-11
0.305
MAK-UNK-c8c8f7e2-2
0.305
MAR-TRE-799db12b-49
0.303
MAK-UNK-c8c8f7e2-34
0.302
MAK-UNK-7a704a63-23
0.299
BEN-VAN-5787f7d3-11
0.298
UNK-CYC-68f84b31-24
0.296
UNK-CYC-68f84b31-46
0.293
MAK-UNK-7a704a63-6
0.292
MAK-UNK-c8c8f7e2-11
0.292
MAK-UNK-c8c8f7e2-13
0.292
MAK-UNK-7a704a63-3
0.292
MAK-UNK-c8c8f7e2-32
0.290
MAK-UNK-c8c8f7e2-8
0.290
MAR-TRE-a9136c7b-57
0.290
MAK-UNK-6435e6c2-7
0.289
AAR-POS-0daf6b7e-31
0.289
BEN-VAN-5787f7d3-12
0.288
MAK-UNK-c8c8f7e2-7
0.287
MAK-UNK-7a704a63-24
0.283
MAK-UNK-c8c8f7e2-31
0.283
AAR-UNI-c25c2f1e-103
0.282
MAK-UNK-c8c8f7e2-40
0.281
MAK-UNK-7a704a63-17
0.281
MAK-UNK-7a704a63-2
0.281
MAK-UNK-c8c8f7e2-14
0.281
IND-SYN-6c8299e8-8
0.280
SWA-SYN-6423ea73-9
0.280
SWA-SYN-d2e6fa14-10
0.280
MAK-UNK-7a704a63-18
0.278
MAK-UNK-c8c8f7e2-41
0.278
MAK-UNK-c8c8f7e2-43
0.278
MAR-TRE-67513f76-4
0.277
MAK-UNK-c8c8f7e2-42
0.276
MAK-UNK-902cc841-13
0.274
SAD-SAT-24589cd1-2
0.272
MAK-UNK-c8c8f7e2-10
0.268
MAK-UNK-7a704a63-5
0.268
MAR-TRE-9d18ae8c-65
0.268
DAV-CRI-8c8dd668-1
0.267
MAK-UNK-902cc841-12
0.263
MAK-UNK-c8c8f7e2-21
0.263
DAN-MCD-0742953f-1
0.262
UNK-CYC-68f84b31-49
0.260
BEN-VAN-5787f7d3-10
0.259
MAK-UNK-902cc841-11
0.259
MAK-UNK-902cc841-14
0.256
AHN-SAT-de2502ba-6
0.255
MAR-TRE-6a44bbf2-43
0.255
MAR-TRE-fd17a9b8-52
0.255
AAR-UNI-c25c2f1e-87
0.254
UNK-CYC-68f84b31-13
0.254
MAK-UNK-c8c8f7e2-9
0.253