Molecular Properties | |
SMILES: | CC(=S)N(CCl)c1cccc(N2CCCC2=O)c1 |
MW: | 282.06 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_halo_amine
alpha_halo_heteroatom
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thiocarbonyls
Filter52_NC_haloamine
N-C-Hal or cyano methyl
thioamide
Alkyl Halide
Thiocarbonyl_group
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-5
0.789
MAK-UNK-c8c8f7e2-4
0.617
MAK-UNK-c8c8f7e2-2
0.590
MAK-UNK-7a704a63-11
0.590
MAK-UNK-c8c8f7e2-7
0.515
MAK-UNK-c8c8f7e2-6
0.485
MAK-UNK-c8c8f7e2-1
0.477
MAK-UNK-c8c8f7e2-20
0.477
MAK-UNK-c8c8f7e2-3
0.470
MAK-UNK-6435e6c2-4
0.462
LON-WEI-8f408cad-1
0.449
MAK-UNK-7a704a63-10
0.449
AAR-POS-0daf6b7e-11
0.449
MAK-UNK-c8c8f7e2-33
0.441
MAK-UNK-c8c8f7e2-16
0.435
MAK-UNK-7a704a63-8
0.433
MAK-UNK-c8c8f7e2-15
0.433
MAK-UNK-c8c8f7e2-18
0.431
MAK-UNK-7a704a63-9
0.429
MAK-UNK-c8c8f7e2-34
0.420
MAK-UNK-c8c8f7e2-17
0.417
MAK-UNK-10dfa458-3
0.408
MAK-UNK-1e8f9e3c-6
0.398
MAK-UNK-c8c8f7e2-31
0.389
MAK-UNK-10dfa458-22
0.389
AAR-UNI-c25c2f1e-103
0.382
MAK-UNK-c8c8f7e2-32
0.378
MAK-UNK-1e8f9e3c-3
0.373
MAK-UNK-1e8f9e3c-5
0.373
MAK-UNK-1e8f9e3c-2
0.372
MAK-UNK-c8c8f7e2-41
0.366
MAK-UNK-7a704a63-18
0.366
MAK-UNK-c8c8f7e2-12
0.361
MAK-UNK-7a704a63-7
0.361
MAK-UNK-9159f8ed-7
0.360
DOU-UNK-b5326f8f-9
0.359
MAK-UNK-1e8f9e3c-4
0.356
MAK-UNK-1e8f9e3c-1
0.353
MAK-UNK-9159f8ed-6
0.353
MAK-UNK-902cc841-3
0.352
MAK-UNK-7a704a63-24
0.351
MAR-TRE-799db12b-69
0.345
MAR-TRE-2fd8122f-39
0.345
MAK-UNK-9159f8ed-3
0.341
MAK-UNK-902cc841-4
0.341
MAR-TRE-799db12b-49
0.337
AAR-UNI-c25c2f1e-61
0.337
MAK-UNK-c8c8f7e2-30
0.333
MAK-UNK-9159f8ed-4
0.330
DAV-CRI-8c8dd668-1
0.330
MAK-UNK-9159f8ed-5
0.330
BEN-VAN-5787f7d3-11
0.330
MAK-UNK-7a704a63-6
0.329
MAK-UNK-c8c8f7e2-11
0.329
MAK-UNK-7a704a63-23
0.320
MAK-UNK-9159f8ed-1
0.319
BEN-VAN-5787f7d3-12
0.316
MAK-UNK-10dfa458-23
0.315
MAK-UNK-9159f8ed-2
0.315
MAK-UNK-c8c8f7e2-36
0.315
MAK-UNK-7a704a63-20
0.315
MAK-UNK-c8c8f7e2-40
0.315
MAK-UNK-7a704a63-19
0.315
MAK-UNK-7a704a63-17
0.315
MAK-UNK-10dfa458-25
0.308
BEN-VAN-5787f7d3-10
0.308
BEN-VAN-5787f7d3-1
0.304
MAK-UNK-c8c8f7e2-37
0.303
MAK-UNK-7a704a63-21
0.303
MAK-UNK-c8c8f7e2-9
0.293
MAK-UNK-7a704a63-4
0.293
COM-UCB-1ef4e90e-23
0.293
MAR-TRE-9d18ae8c-65
0.292
MAR-TRE-67513f76-4
0.291
BAR-COM-0f94fc3d-53
0.290
MAK-UNK-10dfa458-32
0.290
MAK-UNK-c8c8f7e2-38
0.286
MAK-UNK-7a704a63-5
0.280
MAK-UNK-c8c8f7e2-10
0.280
DOU-UNK-b5326f8f-7
0.277
MAK-UNK-7a704a63-16
0.276
MAK-UNK-c8c8f7e2-39
0.276
MAR-TRE-7f7bb9f0-54
0.274
MAR-TRE-7f7bb9f0-31
0.270
BAR-COM-4e090d3a-60
0.267
MAK-UNK-7a704a63-22
0.266
MAK-UNK-7a704a63-2
0.263
MAK-UNK-c8c8f7e2-14
0.263
MAK-UNK-c8c8f7e2-13
0.260
MAK-UNK-7a704a63-3
0.260
MAK-UNK-c8c8f7e2-43
0.260
MAK-UNK-c8c8f7e2-42
0.256
DAR-DIA-5a24bef0-12
0.247
DAR-DIA-5a24bef0-11
0.242
PET-UNK-5eca9d1d-3
0.241
SAD-SAT-65574d3f-9
0.240
PET-UNK-4dc48bbe-2
0.238
BEN-VAN-5787f7d3-6
0.237
SAD-SAT-5b1897b2-4
0.237
DAR-DIA-5a24bef0-17
0.237