Molecular Properties | |
SMILES: | O=C(Nc1cccc(CN2CCN(C(=O)CCl)CC2)c1)c1cnc(Cc2ccsc2)s1 |
MW: | 475.039 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 65.54 |
cLogP: | 3.9307 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-1
0.787
MAK-UNK-e4a48a85-21
0.538
MAK-UNK-e4a48a85-20
0.511
MAK-UNK-10799360-32
0.505
MAK-UNK-849bee6c-4
0.451
MAK-UNK-212f693e-8
0.442
LON-WEI-8f408cad-7
0.442
AAR-POS-0daf6b7e-13
0.442
MAK-UNK-e4a48a85-22
0.427
MAK-UNK-849bee6c-7
0.406
MAK-UNK-849bee6c-3
0.404
MED-COV-4280ac29-8
0.400
MED-COV-4280ac29-15
0.400
AAR-POS-d2a4d1df-35
0.400
MED-COV-4280ac29-25
0.400
JOH-UNI-0e1753c1-3
0.400
HYO-UNK-49a60884-1
0.400
AAR-POS-d2a4d1df-24
0.396
JOK-SYG-18591e8f-1
0.394
DRR-IMP-38dce17f-2
0.391
MAK-UNK-cd94b63c-1
0.388
MAK-UNK-176ca439-3
0.388
MAK-UNK-e4a48a85-23
0.380
MAK-UNK-849bee6c-14
0.377
MAK-UNK-849bee6c-9
0.375
MAT-POS-ee51dedd-1
0.375
MAK-UNK-849bee6c-16
0.370
MAK-UNK-849bee6c-12
0.370
MAK-UNK-849bee6c-5
0.367
MAK-UNK-849bee6c-6
0.367
DRR-IMP-38dce17f-4
0.355
MAK-UNK-176ca439-2
0.355
MAK-UNK-849bee6c-13
0.354
MAK-UNK-e4a48a85-25
0.351
MAK-UNK-7c9d1431-24
0.348
DRR-IMP-38dce17f-3
0.348
MAR-TRE-6a44bbf2-3
0.347
TAM-UNI-d1c3dd9f-12
0.346
MAK-UNK-af83ef51-20
0.345
MAK-UNK-849bee6c-17
0.342
DRR-IMP-38dce17f-6
0.341
MAK-UNK-af83ef51-1
0.340
MAK-UNK-3c359d2a-1
0.339
MAK-UNK-176ca439-4
0.339
MAK-UNK-849bee6c-15
0.339
MAK-UNK-212f693e-7
0.337
TAM-UNI-d1c3dd9f-6
0.336
MAK-UNK-849bee6c-8
0.333
MAK-UNK-7c9d1431-14
0.333
MAK-UNK-e4a48a85-24
0.330
MAK-UNK-e4a48a85-2
0.330
MAK-UNK-7c9d1431-29
0.330
MAK-UNK-af83ef51-19
0.328
MAK-UNK-10dfa458-45
0.328
MAK-UNK-e4a48a85-7
0.327
SAD-SAT-f0a2747f-4
0.327
MAK-UNK-e05327b2-3
0.326
TAM-UNI-d1c3dd9f-5
0.324
MAK-UNK-a7992eb3-1
0.322
MAK-UNK-e4a48a85-27
0.322
MED-COV-4280ac29-19
0.321
DAR-DIA-fb20be43-1
0.321
MAK-UNK-e4a48a85-1
0.320
MAK-UNK-7c9d1431-18
0.320
SAD-SAT-5b1897b2-5
0.320
MAR-TRE-6a44bbf2-54
0.320
MAK-UNK-7c9d1431-16
0.320
SAD-SAT-29425be4-8
0.319
MAK-UNK-e4a48a85-18
0.319
MAK-UNK-849bee6c-1
0.316
LON-WEI-8f408cad-5
0.316
AAR-POS-0daf6b7e-17
0.316
DRR-IMP-38dce17f-5
0.316
SAD-SAT-bc31ec01-1
0.316
MAK-UNK-212f693e-6
0.315
TAM-UNI-d1c3dd9f-16
0.314
MAK-UNK-987948f6-11
0.312
MAR-TRE-799db12b-40
0.312
PAU-UNI-8cdd41c7-1
0.312
MAK-UNK-af83ef51-21
0.311
SEL-UNI-cd366922-7
0.311
BRU-LEF-ae0885ba-1
0.311
PAU-UNI-52c0427f-1
0.311
DAR-DIA-fb20be43-4
0.311
MAK-UNK-e4a48a85-16
0.311
MAK-UNK-c74072e5-7
0.310
MAT-POS-2db6411e-2
0.309
SAD-SAT-581007d4-7
0.309
MAK-UNK-212f693e-32
0.309
MAR-TRE-66ac689e-31
0.308
NAU-LAT-64f4b287-3
0.308
MAK-UNK-e05327b2-2
0.308
PAU-UNI-b2b6b158-1
0.308
DAV-CRI-d1e0885a-1
0.307
ASH-SAT-43770c7d-5
0.306
SAD-SAT-5b1897b2-2
0.306
MAK-UNK-212f693e-13
0.306
NEH-REV-107bcf72-5
0.306
JOO-PER-58e158bd-1
0.306
DAR-DIA-fb20be43-5
0.306