Molecular Properties | |
SMILES: | CN(C)C(=O)c1ccc(CNS(C)(=O)=O)c(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 430.958 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 90.03 |
cLogP: | 0.320600000000003 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
STU-CHA-6d5cfe2b-1
0.456
NEH-REV-107bcf72-5
0.434
TAM-UNI-d1c3dd9f-6
0.425
JIA-UNI-93b03cae-1
0.421
MIH-UNI-e573136b-5
0.415
SEL-UNI-cd366922-7
0.412
MAK-UNK-7c9d1431-20
0.403
STU-CHA-6cae54d3-1
0.402
MED-COV-4280ac29-37
0.400
DAR-DIA-fb20be43-9
0.389
DAR-DIA-fb20be43-12
0.389
SEL-UNI-cd366922-6
0.386
DAR-DIA-fb20be43-16
0.385
TAM-UNI-d1c3dd9f-1
0.385
AAR-POS-d2a4d1df-24
0.385
JOK-SYG-18591e8f-1
0.383
MIH-UNI-e573136b-4
0.382
STU-CHA-5350f95a-1
0.381
TAM-UNI-d1c3dd9f-19
0.379
SAD-SAT-65574d3f-10
0.378
SAD-SAT-5b1897b2-5
0.378
DAV-CRI-d1e0885a-2
0.378
SAD-SAT-bc31ec01-1
0.377
TAM-UNI-d1c3dd9f-17
0.375
TAM-UNI-d1c3dd9f-18
0.375
STU-CHA-7b3b91d5-1
0.374
STU-CHA-128b80be-1
0.374
MED-COV-4280ac29-31
0.373
AAR-POS-d2a4d1df-40
0.373
HYO-UNK-50298ba0-1
0.372
DAR-DIA-fb20be43-2
0.372
DRR-IMP-38dce17f-8
0.372
MED-COV-4280ac29-15
0.372
AAR-POS-d2a4d1df-35
0.372
HYO-UNK-49a60884-1
0.372
JOH-UNI-0e1753c1-3
0.372
DAV-CRI-d1e0885a-3
0.371
DAR-DIA-fb20be43-3
0.371
DAR-DIA-fb20be43-7
0.371
SEL-UNI-cd366922-2
0.369
PAU-UNI-19862c28-1
0.368
DAR-DIA-fb20be43-8
0.368
DRR-IMP-38dce17f-3
0.365
MAK-UNK-7c9d1431-24
0.365
BRU-LEF-ae0885ba-1
0.364
DAR-DIA-fb20be43-4
0.364
STE-UNK-13e151dd-1
0.364
PAU-UNI-52c0427f-1
0.364
TAM-UNI-d1c3dd9f-5
0.363
TAM-UNI-d1c3dd9f-13
0.363
DRR-IMP-38dce17f-2
0.362
MAK-UNK-7c9d1431-14
0.361
NEH-REV-107bcf72-3
0.360
MAK-UNK-7c9d1431-29
0.360
DAR-DIA-fb20be43-1
0.360
SEL-UNI-cd366922-9
0.360
AAR-POS-0daf6b7e-2
0.359
TAM-UNI-d1c3dd9f-20
0.358
SAD-SAT-581007d4-4
0.357
JOO-PER-58e158bd-1
0.356
DAR-DIA-fb20be43-5
0.356
PAU-UNI-8cdd41c7-1
0.355
DRR-IMP-38dce17f-6
0.355
STU-CHA-464c0256-1
0.355
MAR-LAB-ca4662a6-2
0.354
DAR-DIA-fb20be43-6
0.352
MAK-UNK-849bee6c-14
0.351
DUN-NEW-f8ce3686-24
0.351
DAR-DIA-fb20be43-10
0.351
DAR-DIA-fb20be43-15
0.351
SAD-SAT-581007d4-7
0.350
SAD-SAT-581007d4-2
0.350
MAT-POS-2db6411e-2
0.350
MAK-UNK-cd94b63c-1
0.348
MAK-UNK-176ca439-3
0.348
JOK-SYG-302da050-2
0.347
AAR-POS-0daf6b7e-13
0.346
DRR-IMP-38dce17f-1
0.346
MAK-UNK-212f693e-8
0.346
LON-WEI-8f408cad-7
0.346
MAR-TRE-6a44bbf2-54
0.345
MAK-UNK-7c9d1431-16
0.345
DAV-CRI-d1e0885a-1
0.345
MAT-POS-ee51dedd-1
0.345
MED-COV-4280ac29-35
0.344
TAM-UNI-d1c3dd9f-14
0.344
DAR-DIA-fb20be43-13
0.343
DRR-IMP-38dce17f-7
0.342
MAK-UNK-6ca90168-14
0.342
MAK-UNK-7c9d1431-28
0.342
LON-WEI-8f408cad-5
0.342
DRR-IMP-38dce17f-5
0.342
AAR-POS-0daf6b7e-17
0.342
SAD-SAT-581007d4-3
0.341
TAT-ENA-80bfd3e5-20
0.341
AAR-POS-d2a4d1df-41
0.341
MED-COV-4280ac29-24
0.341
MAK-UNK-176ca439-2
0.340
AAR-POS-0daf6b7e-12
0.338
JOH-UNI-27ac80fd-23
0.338