Molecular Properties | |
SMILES: | CNC1C(O)OCC(O)C1OC(C(=O)NS(N)(=O)=O)c1ccc(CN2CCN(C(=O)CCl)CC2)cc1C |
MW: | 564.061 |
Fraction sp3: | 0.64 |
HBA: | 10 |
HBD: | 5 |
Rotatable Bonds: | 9 |
TPSA: | 183.76 |
cLogP: | -2.07847999999999 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
hemiacetal
Long aliphatic chain
Hetero_hetero
MAK-UNK-af83ef51-14
0.491
MAK-UNK-e4a48a85-18
0.383
SEL-UNI-cd366922-7
0.368
MAK-UNK-e4a48a85-19
0.360
AAR-POS-d2a4d1df-24
0.357
SAD-SAT-581007d4-4
0.350
MAK-UNK-176ca439-2
0.348
HYO-UNK-49a60884-1
0.347
AAR-POS-d2a4d1df-35
0.347
MED-COV-4280ac29-15
0.347
JOH-UNI-0e1753c1-3
0.347
JIA-UNI-93b03cae-1
0.343
TAM-UNI-d1c3dd9f-6
0.342
DRR-IMP-38dce17f-2
0.340
SAD-SAT-5b1897b2-5
0.340
MAK-UNK-7c9d1431-16
0.340
MAT-POS-ee51dedd-1
0.340
MAR-TRE-6a44bbf2-54
0.340
MAK-UNK-7c9d1431-14
0.340
MAK-UNK-af83ef51-20
0.339
MAK-UNK-7c9d1431-29
0.337
MAK-UNK-af83ef51-15
0.333
TAM-UNI-d1c3dd9f-5
0.330
JOK-SYG-18591e8f-1
0.330
DRR-IMP-38dce17f-7
0.323
MAK-UNK-6ca90168-14
0.323
MAK-UNK-af83ef51-19
0.323
MAK-UNK-af83ef51-17
0.322
MAK-UNK-e4a48a85-7
0.322
MAK-UNK-7c9d1431-21
0.320
MAR-LAB-ca4662a6-2
0.320
MAK-UNK-cd94b63c-1
0.319
MAK-UNK-176ca439-3
0.319
MIH-UNI-e573136b-5
0.318
MAK-UNK-af83ef51-21
0.317
SAD-SAT-581007d4-2
0.317
JOH-UNI-27ac80fd-38
0.315
MAK-UNK-7c9d1431-18
0.315
STU-CHA-464c0256-1
0.313
SAD-SAT-581007d4-3
0.311
MAK-UNK-176ca439-4
0.311
MAK-UNK-3c359d2a-1
0.311
STE-UNK-13e151dd-1
0.306
JAN-GHE-1d98ec1c-8
0.306
MAK-UNK-849bee6c-12
0.305
TAM-UNI-d1c3dd9f-12
0.304
MAK-UNK-e4a48a85-26
0.304
MAK-UNK-7c9d1431-20
0.304
SAD-SAT-65574d3f-10
0.302
MAK-UNK-af83ef51-18
0.301
MAK-UNK-10dfa458-45
0.301
TAM-UNI-d1c3dd9f-19
0.300
MAK-UNK-849bee6c-14
0.299
MED-COV-4280ac29-33
0.299
JAN-GHE-1d98ec1c-2
0.299
DRR-IMP-38dce17f-3
0.299
MAK-UNK-7c9d1431-24
0.299
SEL-UNI-cd366922-8
0.295
MAK-UNK-176ca439-5
0.295
MAK-UNK-72b7ba6b-1
0.295
MAK-UNK-849bee6c-16
0.294
DRR-IMP-38dce17f-6
0.293
PAU-UNI-8cdd41c7-1
0.293
MAK-UNK-849bee6c-19
0.293
WIL-LEE-23e8b574-4
0.291
TAM-UNI-d1c3dd9f-4
0.291
MAK-UNK-212f693e-8
0.287
LON-WEI-8f408cad-7
0.287
AAR-POS-0daf6b7e-13
0.287
MIH-UNI-e573136b-4
0.287
MAK-UNK-849bee6c-7
0.287
TAM-UNI-d1c3dd9f-16
0.286
JOK-SYG-302da050-2
0.286
MAK-UNK-849bee6c-18
0.285
MAK-UNK-849bee6c-9
0.284
MAK-UNK-7c9d1431-28
0.284
MAK-UNK-849bee6c-4
0.283
MAK-UNK-849bee6c-3
0.282
MAK-UNK-849bee6c-2
0.282
MAK-UNK-849bee6c-13
0.282
MAK-UNK-849bee6c-17
0.282
DAR-DIA-fb20be43-9
0.282
DRR-IMP-38dce17f-4
0.282
JOH-UNI-27ac80fd-23
0.282
AAR-POS-0daf6b7e-12
0.282
MAK-UNK-849bee6c-6
0.281
TAM-UNI-d1c3dd9f-18
0.281
TAM-UNI-d1c3dd9f-17
0.281
MAK-UNK-176ca439-7
0.280
MAK-UNK-849bee6c-15
0.280
VIT-UNK-2a0afa28-3
0.279
SAD-SAT-581007d4-7
0.279
MAT-POS-2db6411e-2
0.279
SAD-SAT-581007d4-1
0.279
MAK-UNK-c74072e5-7
0.277
DRR-IMP-38dce17f-8
0.277
NEH-REV-107bcf72-5
0.276
MAK-UNK-10dfa458-19
0.276
TAT-ENA-80bfd3e5-20
0.275
AAR-POS-d2a4d1df-41
0.275