Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2S(=O)(=O)C1=CC[SH]=C1 |
MW: | 322.02 |
Fraction sp3: | 0.64 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.01 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
Activated double bonds (3)
Filter88_ene_sulfone
thiols
thiol
Hetero_hetero
Thiocarbonyl_group
AAR-POS-d2a4d1df-27
MAK-UNK-3f402c2b-15
0.538
PEI-IMP-e4a008a2-1
0.538
MAK-UNK-3f402c2b-24
0.537
MAK-UNK-3f402c2b-5
0.530
MAK-UNK-3f402c2b-17
0.529
MAK-UNK-3f402c2b-9
0.522
MAK-UNK-3f402c2b-1
0.515
MAK-UNK-3f402c2b-12
0.514
MAK-UNK-3f402c2b-11
0.500
MAK-UNK-3f402c2b-13
0.493
MAK-UNK-3f402c2b-2
0.493
MAK-UNK-d4768348-1
0.439
MAK-UNK-10799360-35
0.407
MAK-UNK-3f402c2b-29
0.383
MAK-UNK-d4768348-6
0.380
MAK-UNK-df1a028e-9
0.375
MAK-UNK-3f402c2b-7
0.366
MAK-UNK-3f402c2b-27
0.356
MAK-UNK-3f402c2b-4
0.347
MAK-UNK-3f402c2b-16
0.347
MAK-UNK-10799360-36
0.346
MAK-UNK-23561bf6-1
0.343
MAK-UNK-10dfa458-6
0.343
MAK-UNK-3f402c2b-25
0.342
MAK-UNK-df1a028e-8
0.342
MAK-UNK-df1a028e-4
0.342
MAK-UNK-90d0606b-3
0.341
MAK-UNK-bae89c02-4
0.341
MAK-UNK-3f402c2b-6
0.338
MAK-UNK-3f402c2b-22
0.333
MAK-UNK-ec98eaf6-6
0.333
SAD-SAT-581007d4-10
0.329
MAK-UNK-df1a028e-1
0.329
MAK-UNK-ec98eaf6-13
0.329
MAK-UNK-5d2caa6f-3
0.329
MAK-UNK-3f402c2b-26
0.329
MAK-UNK-ec98eaf6-4
0.325
MAK-UNK-5d2caa6f-12
0.325
MAK-UNK-3f402c2b-21
0.325
MAK-UNK-df1a028e-6
0.325
DAN-LON-a5fc619e-8
0.325
MAK-UNK-3f402c2b-3
0.321
MAK-UNK-10dfa458-30
0.319
MAK-UNK-3e0761f8-4
0.318
DAR-DIA-3e9bbd81-3
0.318
MAK-UNK-ec98eaf6-9
0.318
SAD-SAT-581007d4-9
0.316
MAK-UNK-5d2caa6f-4
0.313
MAK-UNK-10799360-30
0.312
MAK-UNK-10799360-16
0.311
DAR-DIA-3e9bbd81-4
0.308
MAK-UNK-10799360-21
0.308
MAK-UNK-ec98eaf6-1
0.307
AHN-SAT-721e3e40-1
0.306
MAK-UNK-5d2caa6f-5
0.306
MAK-UNK-ec98eaf6-11
0.303
MAK-UNK-bae89c02-3
0.303
MAK-UNK-3e0761f8-9
0.302
MAK-UNK-3f402c2b-14
0.301
MAK-UNK-10799360-6
0.301
DAR-DIA-3e9bbd81-5
0.301
DAR-DIA-3e9bbd81-7
0.300
MAK-UNK-ec98eaf6-21
0.300
MAK-UNK-ec98eaf6-14
0.298
MAK-UNK-10799360-17
0.297
MAK-UNK-5d2caa6f-24
0.297
MAK-UNK-90d0606b-1
0.295
DAR-DIA-3e9bbd81-10
0.293
MAK-UNK-ec98eaf6-16
0.292
MAK-UNK-10799360-1
0.291
MAK-UNK-ec98eaf6-3
0.291
MAK-UNK-10799360-22
0.289
DAR-DIA-3e9bbd81-6
0.289
MAK-UNK-10799360-29
0.289
MAK-UNK-ec98eaf6-20
0.287
MAK-UNK-10799360-20
0.287
SAD-SAT-3a925b8b-7
0.286
DAR-DIA-3e9bbd81-1
0.284
MAK-UNK-ec98eaf6-49
0.283
DAR-DIA-3e9bbd81-8
0.281
MAK-UNK-10799360-19
0.281
DAR-DIA-3e9bbd81-9
0.281
MAK-UNK-10799360-4
0.281
MAK-UNK-ec98eaf6-17
0.281
MAK-UNK-ec98eaf6-28
0.280
MAK-UNK-5d2caa6f-6
0.278
MAK-UNK-10799360-5
0.278
MAK-UNK-ec98eaf6-22
0.278
MAK-UNK-5d2caa6f-7
0.278
SAD-SAT-3a925b8b-1
0.278
MAK-UNK-df1a028e-5
0.277
MAK-UNK-ec98eaf6-50
0.277
MAK-UNK-ec98eaf6-19
0.275
MAK-UNK-ec98eaf6-24
0.275
MAK-UNK-90d0606b-4
0.274
MAR-TRE-6a44bbf2-26
0.273
MAK-UNK-7c9d1431-8
0.273
DAR-DIA-3e9bbd81-2
0.272
MAK-UNK-ec98eaf6-2
0.272
MAK-UNK-ec98eaf6-10
0.272