Molecular Properties | |
SMILES: | Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccsc1 |
MW: | 365.89 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.35 |
cLogP: | 1.5941 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
aniline
MED-COV-4280ac29-19
0.693
AAR-POS-0daf6b7e-13
0.551
LON-WEI-8f408cad-7
0.551
MAK-UNK-212f693e-8
0.551
MAK-UNK-e4a48a85-20
0.524
MAK-UNK-e4a48a85-21
0.518
MAK-UNK-e4a48a85-23
0.500
MAK-UNK-e4a48a85-25
0.457
MAK-UNK-e4a48a85-8
0.427
MAK-UNK-212f693e-7
0.413
SAD-SAT-bc31ec01-1
0.403
MAK-UNK-212f693e-6
0.387
DRR-IMP-38dce17f-5
0.385
DRR-IMP-38dce17f-6
0.382
AAR-POS-0daf6b7e-12
0.380
JOH-UNI-27ac80fd-23
0.380
DRR-IMP-38dce17f-4
0.380
MAK-UNK-af83ef51-1
0.376
MAK-UNK-849bee6c-7
0.374
MAK-UNK-6435e6c2-3
0.373
DRR-IMP-38dce17f-3
0.373
MAK-UNK-7c9d1431-24
0.373
MAK-UNK-ec98eaf6-7
0.371
SAD-SAT-5b1897b2-2
0.370
ASH-SAT-43770c7d-5
0.370
MAK-UNK-7c9d1431-29
0.368
AAR-POS-0daf6b7e-2
0.367
AAR-POS-0daf6b7e-17
0.367
LON-WEI-8f408cad-5
0.367
NAU-LAT-64f4b287-3
0.367
MED-COV-4280ac29-8
0.367
MED-COV-4280ac29-25
0.367
HYO-UNK-49a60884-1
0.362
MED-COV-4280ac29-15
0.362
AAR-POS-d2a4d1df-35
0.362
JOH-UNI-0e1753c1-3
0.362
MAK-UNK-212f693e-9
0.362
MAK-UNK-e05327b2-3
0.360
MAT-POS-2db6411e-2
0.358
MAK-UNK-212f693e-32
0.358
AAR-POS-d2a4d1df-24
0.358
SAD-SAT-581007d4-7
0.358
MAK-UNK-7c9d1431-20
0.358
JOK-SYG-18591e8f-1
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STE-UNK-13e151dd-1
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MAK-UNK-849bee6c-9
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MAK-UNK-10dfa458-1
0.354
NEH-REV-107bcf72-5
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DRR-IMP-38dce17f-2
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DAV-CRI-d1e0885a-1
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MAK-UNK-e4a48a85-1
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MAK-UNK-849bee6c-16
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MAK-UNK-849bee6c-4
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MAK-UNK-849bee6c-12
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DRR-IMP-38dce17f-7
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MAK-UNK-6ca90168-14
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MAK-UNK-10dfa458-20
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MAK-UNK-e05327b2-2
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MAK-UNK-e4a48a85-2
0.348
JOO-PER-58e158bd-1
0.348
MAK-UNK-e4a48a85-24
0.347
PAU-UNI-8cdd41c7-1
0.346
MAK-UNK-6ca90168-20
0.346
MAK-UNK-849bee6c-14
0.344
JIA-UNI-93b03cae-1
0.341
SAD-SAT-581007d4-1
0.341
SEL-UNI-cd366922-7
0.341
DRR-IMP-38dce17f-1
0.338
MAT-POS-ee51dedd-1
0.337
MAK-UNK-7c9d1431-14
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PAU-UNI-b2b6b158-1
0.337
DAR-DIA-fb20be43-1
0.337
AAR-POS-d2a4d1df-40
0.333
MED-COV-4280ac29-31
0.333
MAK-UNK-7c9d1431-28
0.333
MAK-UNK-849bee6c-6
0.333
SEL-UNI-cd366922-6
0.330
AHN-SAT-de2502ba-15
0.329
MAT-POS-ee51dedd-2
0.329
MAR-LAB-ca4662a6-2
0.329
STU-CHA-0f79177c-1
0.327
TAM-UNI-d1c3dd9f-6
0.326
PAU-UNI-52c0427f-1
0.326
DAR-DIA-fb20be43-4
0.326
BRU-LEF-ae0885ba-1
0.326
MIH-UNI-e573136b-5
0.326
SAD-SAT-581007d4-2
0.325
MAK-UNK-a7992eb3-1
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MAK-UNK-e4a48a85-27
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DAR-DIA-fb20be43-12
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MAK-UNK-e4a48a85-26
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DAR-DIA-fb20be43-9
0.323
MED-COV-4280ac29-35
0.323
TAM-UNI-d1c3dd9f-17
0.323
JOH-UNI-27ac80fd-38
0.322
MAK-UNK-7c9d1431-18
0.322
SAD-SAT-5b1897b2-5
0.322
MAK-UNK-7c9d1431-16
0.322
MAR-TRE-6a44bbf2-54
0.322
MAK-UNK-212f693e-13
0.321