Molecular Properties | |
SMILES: | CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(S(N)(=O)=O)c1 |
MW: | 387.14 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 83.71 |
cLogP: | 1.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
JOH-UNI-0e1753c1-5
0.693
DAN-LON-a5fc619e-3
0.693
SAD-SAT-c989feaa-8
0.684
SAD-SAT-c989feaa-2
0.684
SAD-SAT-c989feaa-1
0.675
SAD-SAT-c989feaa-4
0.635
SAD-SAT-c989feaa-6
0.512
JOH-UNI-0e1753c1-4
0.506
STU-CHA-0be58c98-1
0.488
SAD-SAT-c989feaa-5
0.482
HYO-UNK-1dbfcf16-1
0.478
DAN-LON-a5fc619e-1
0.412
SAD-SAT-c989feaa-3
0.404
SAD-SAT-c989feaa-10
0.400
YOI-UNK-15f562e8-3
0.392
ANT-OPE-e67e7ba0-1
0.387
DAN-LON-a5fc619e-6
0.376
DAN-LON-a5fc619e-9
0.376
DAN-LON-a5fc619e-7
0.372
SAD-SAT-c989feaa-7
0.366
MAK-UNK-ec98eaf6-45
0.344
SAD-SAT-581007d4-3
0.341
SAD-SAT-581007d4-4
0.341
PAT-MCD-fb0933e5-1
0.337
MAK-UNK-1cb0e944-9
0.337
DAR-DIA-fb20be43-9
0.330
SAD-SAT-581007d4-10
0.330
DAV-CRI-f9b12666-10
0.328
JAN-GHE-1d98ec1c-9
0.326
MAK-UNK-af83ef51-17
0.324
MIH-UNI-e573136b-4
0.323
DAN-LON-a5fc619e-4
0.323
SEL-UNI-cd366922-7
0.319
AAR-POS-d2a4d1df-24
0.318
DAN-MCD-1c3944e2-1
0.317
NIM-UNI-bb610069-3
0.317
NIM-UNI-594fbbb6-3
0.317
DAN-MCD-34fd4f29-1
0.311
SAL-INS-1ea6d4ee-4
0.311
MAK-UNK-3f402c2b-3
0.308
AVI-UNI-70b60925-1
0.308
MAK-UNK-bae89c02-3
0.307
MED-COV-4280ac29-15
0.306
HYO-UNK-49a60884-1
0.306
AAR-POS-d2a4d1df-35
0.306
JOH-UNI-0e1753c1-3
0.306
JAN-GHE-1d98ec1c-8
0.304
JOK-SYG-18591e8f-1
0.303
THO-SYG-f9b2970d-4
0.303
STU-CHA-7e77017b-1
0.301
MAT-POS-ee51dedd-1
0.300
MAK-UNK-ec98eaf6-46
0.300
DUN-NEW-f8ce3686-22
0.300
SAD-SAT-1f400d17-4
0.300
SAD-SAT-89668ff1-2
0.299
DRR-IMP-38dce17f-2
0.299
DAN-PUR-3907f623-1
0.298
DAN-LON-a5fc619e-8
0.297
SAL-INS-1ea6d4ee-3
0.295
MED-COV-4280ac29-38
0.295
JOK-SYG-6ec557d2-1
0.294
HAR-NEW-e34cb1ae-5
0.294
MAK-UNK-10799360-29
0.294
JOH-UNI-27ac80fd-28
0.293
NIR-THE-0d6461ce-4
0.293
MAK-UNK-af83ef51-2
0.292
MAK-UNK-ec98eaf6-44
0.292
MAC-MCD-76766525-1
0.291
DAN-LON-a5fc619e-2
0.290
PEI-IMP-ca0b2813-3
0.290
THO-SYG-f9b2970d-2
0.290
DAR-DIA-fb20be43-12
0.290
PED-UNI-d0b586b3-1
0.289
SAD-SAT-581007d4-6
0.289
SAD-SAT-89668ff1-4
0.289
MAK-UNK-10799360-33
0.288
MAR-TRE-6a44bbf2-28
0.287
SAD-SAT-89668ff1-8
0.287
MAK-UNK-7c9d1431-23
0.287
DAN-MCD-881986d8-1
0.286
DAR-DIA-3e9bbd81-10
0.286
MAK-UNK-10799360-3
0.284
MAR-TRE-6a44bbf2-18
0.284
LON-WEI-8f408cad-4
0.284
BEN-DND-03406596-10
0.284
AAR-POS-d2a4d1df-23
0.284
MAK-UNK-7c9d1431-11
0.283
MAR-TRE-6a44bbf2-65
0.283
TAT-ENA-80bfd3e5-43
0.283
DAN-MCD-3bfdcef2-1
0.280
DAN-MCD-b3a5626f-1
0.280
DAN-MCD-9b81d1fa-1
0.280
JOE-SYG-2c9a1216-1
0.280
SAL-INS-1c7a5a55-11
0.280
NIR-THE-0d6461ce-5
0.280
MAK-UNK-176ca439-3
0.280
MAK-UNK-cd94b63c-1
0.280
MED-COV-4280ac29-13
0.280
EDJ-MED-e58735b6-3
0.278
THO-SYG-f9b2970d-8
0.278