Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1ccc(Cc2cccc3ccccc23)cc1 |
MW: | 454.11 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 57.69 |
cLogP: | 3.64 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MED-COV-4280ac29-15
MED-COV-4280ac29-5
0.607
PEI-IMP-e4a008a2-1
0.587
MAK-UNK-3f402c2b-15
0.545
MAK-UNK-3f402c2b-5
0.538
MAK-UNK-3f402c2b-14
0.494
MAK-UNK-3f402c2b-2
0.488
MAK-UNK-3f402c2b-11
0.476
MAK-UNK-3f402c2b-9
0.458
MAK-UNK-3f402c2b-13
0.438
MAK-UNK-3f402c2b-1
0.435
MAK-UNK-3f402c2b-24
0.435
MAK-UNK-e05327b2-8
0.408
SAD-SAT-3a925b8b-8
0.407
MAK-UNK-3f402c2b-12
0.404
MAK-UNK-3f402c2b-17
0.400
MAK-UNK-ec98eaf6-24
0.392
MAK-UNK-ec98eaf6-19
0.392
DAR-DIA-3e9bbd81-1
0.389
MAK-UNK-90d0606b-7
0.379
MAK-UNK-bae89c02-3
0.378
DAR-DIA-3e9bbd81-2
0.374
MIH-UNI-e573136b-2
0.365
MED-COV-4280ac29-31
0.360
AAR-POS-d2a4d1df-40
0.360
MIH-UNI-e573136b-3
0.346
MAK-UNK-bae89c02-4
0.344
DRR-IMP-db50bf6e-4
0.341
DAR-DIA-3e9bbd81-4
0.340
MAK-UNK-ec98eaf6-7
0.327
MAK-UNK-3f402c2b-3
0.326
MAK-UNK-ec98eaf6-11
0.324
DAR-DIA-3e9bbd81-5
0.321
MAK-UNK-10799360-30
0.318
MAK-UNK-3f402c2b-7
0.318
MAK-UNK-10799360-17
0.317
MAK-UNK-90d0606b-1
0.317
MIH-UNI-e573136b-1
0.316
MAK-UNK-df1a028e-4
0.316
DAN-LON-a5fc619e-8
0.315
DAR-DIA-3e9bbd81-8
0.315
MAK-UNK-10799360-21
0.314
MAK-UNK-3f402c2b-6
0.312
MAK-UNK-3f402c2b-27
0.311
MAK-UNK-df1a028e-9
0.311
DAR-DIA-3e9bbd81-6
0.309
MAK-UNK-3f402c2b-22
0.308
MAK-UNK-10799360-36
0.305
MAK-UNK-ec98eaf6-49
0.305
MAK-UNK-90d0606b-3
0.303
MAK-UNK-10799360-4
0.303
MAK-UNK-5d2caa6f-12
0.302
SAL-INS-1ea6d4ee-4
0.302
DAR-DIA-3e9bbd81-10
0.302
MAK-UNK-10799360-5
0.301
MAK-UNK-5d2caa6f-7
0.301
AHN-SAT-721e3e40-1
0.300
MAK-UNK-3f402c2b-25
0.300
MAK-UNK-ec98eaf6-51
0.300
MAK-UNK-ec98eaf6-50
0.299
MAK-UNK-3e0761f8-4
0.298
DAR-DIA-3e9bbd81-14
0.297
DAR-DIA-3e9bbd81-3
0.297
MAK-UNK-10799360-20
0.296
MAK-UNK-10799360-6
0.296
MAK-UNK-ec98eaf6-2
0.295
MAK-UNK-ec98eaf6-54
0.295
MAK-UNK-ec98eaf6-53
0.295
MAK-UNK-3e0761f8-10
0.294
MAK-UNK-6ca90168-1
0.293
SAD-SAT-581007d4-10
0.293
MAK-UNK-5d2caa6f-4
0.293
MAK-UNK-ec98eaf6-55
0.293
MAK-UNK-10799360-16
0.292
MAK-UNK-ec98eaf6-13
0.292
MAK-UNK-5d2caa6f-3
0.292
MAK-UNK-3f402c2b-29
0.291
DAR-DIA-3e9bbd81-9
0.291
MAK-UNK-3f402c2b-26
0.290
MAK-UNK-3f402c2b-4
0.289
MAK-UNK-ec98eaf6-4
0.289
NIM-UNI-363644a0-1
0.288
JOO-IND-6372a4f3-4
0.287
MAK-UNK-df1a028e-8
0.286
MAK-UNK-10799360-29
0.286
MAK-UNK-ec98eaf6-47
0.286
MAK-UNK-ec98eaf6-52
0.284
DAN-MCD-1c3944e2-1
0.284
MAK-UNK-ec98eaf6-6
0.284
DAR-DIA-3e9bbd81-7
0.283
MAK-UNK-ec98eaf6-21
0.283
DAR-DIA-fb20be43-9
0.282
MAK-UNK-ec98eaf6-56
0.281
MAK-UNK-5d2caa6f-24
0.280
MAK-UNK-10799360-19
0.279
MAK-UNK-7c9d1431-5
0.278
MAR-TRE-6a44bbf2-31
0.278
JOO-IND-6372a4f3-6
0.278
MAK-UNK-df1a028e-1
0.278
MAK-UNK-10799360-32
0.277
AAR-UNI-c25c2f1e-99
0.277