Molecular Properties | |
SMILES: | Cc1nc(CN2CCN(C(=O)CCl)CC2)c(NCc2cccc(O)c2)c(=O)[nH]1 |
MW: | 405.886 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 101.56 |
cLogP: | 1.27902 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-e4a48a85-25
0.460
AAR-POS-d2a4d1df-24
0.417
MED-COV-4280ac29-15
0.388
JOH-UNI-0e1753c1-3
0.388
HYO-UNK-49a60884-1
0.388
AAR-POS-d2a4d1df-35
0.388
DRR-IMP-38dce17f-4
0.388
DRR-IMP-38dce17f-3
0.383
MAK-UNK-7c9d1431-24
0.383
JOK-SYG-18591e8f-1
0.382
DRR-IMP-38dce17f-2
0.379
TAM-UNI-d1c3dd9f-12
0.374
MAK-UNK-af83ef51-20
0.370
SAD-SAT-581007d4-7
0.368
MAT-POS-2db6411e-2
0.368
MAK-UNK-849bee6c-7
0.367
MAK-UNK-849bee6c-14
0.366
MAK-UNK-212f693e-8
0.365
LON-WEI-8f408cad-7
0.365
AAR-POS-0daf6b7e-13
0.365
MAT-POS-ee51dedd-1
0.363
MAK-UNK-849bee6c-12
0.359
MAK-UNK-849bee6c-4
0.359
STE-KUL-2e0d2e88-7
0.358
DRR-IMP-38dce17f-6
0.357
MAR-LAB-ca4662a6-2
0.356
MAK-UNK-e4a48a85-23
0.356
SAD-SAT-581007d4-2
0.352
MAK-UNK-cd94b63c-1
0.350
MAK-UNK-849bee6c-9
0.350
MAK-UNK-176ca439-3
0.350
MAR-TRE-c8530538-9
0.350
DRR-IMP-38dce17f-1
0.349
SAD-SAT-5b1897b2-2
0.348
NEH-REV-107bcf72-5
0.348
SAD-SAT-5b1897b2-5
0.348
MAK-UNK-7c9d1431-29
0.345
DRR-IMP-38dce17f-5
0.345
MED-COV-4280ac29-24
0.343
MAK-UNK-849bee6c-6
0.343
PAU-UNI-8cdd41c7-1
0.341
SEL-UNI-cd366922-6
0.340
MAK-UNK-3c359d2a-1
0.340
MAK-UNK-176ca439-4
0.340
MAK-UNK-849bee6c-15
0.339
MAK-UNK-10dfa458-43
0.339
MAK-UNK-7c9d1431-20
0.337
STE-UNK-13e151dd-1
0.337
MAR-TRE-6a44bbf2-54
0.333
MED-COV-4280ac29-19
0.333
MAK-UNK-849bee6c-20
0.333
MAK-UNK-7c9d1431-16
0.333
MAK-UNK-7c9d1431-18
0.333
MAK-UNK-849bee6c-16
0.333
MAK-UNK-849bee6c-8
0.333
MAK-UNK-849bee6c-3
0.330
MAK-UNK-849bee6c-13
0.330
MAK-UNK-849bee6c-19
0.330
MAK-UNK-849bee6c-5
0.330
MAK-UNK-176ca439-2
0.330
DAR-DIA-fb20be43-3
0.330
MED-COV-4280ac29-33
0.330
SAD-SAT-581007d4-4
0.330
AAR-POS-0daf6b7e-2
0.330
DRR-IMP-38dce17f-7
0.330
MAK-UNK-6ca90168-14
0.330
MAK-UNK-af83ef51-19
0.328
MAK-UNK-af83ef51-27
0.327
MAK-UNK-849bee6c-1
0.327
MAK-UNK-10dfa458-45
0.327
MAK-UNK-af83ef51-1
0.326
MAK-UNK-7c9d1431-21
0.326
AHN-SAT-de2502ba-15
0.326
MAK-UNK-af83ef51-22
0.324
MAK-UNK-e4a48a85-22
0.324
TAM-UNI-d1c3dd9f-6
0.324
JIA-UNI-93b03cae-1
0.322
SAD-SAT-581007d4-1
0.322
MAK-UNK-e4a48a85-8
0.322
MAK-UNK-849bee6c-23
0.322
MAK-UNK-849bee6c-18
0.321
SEL-UNI-cd366922-8
0.321
MED-COV-4280ac29-8
0.320
MAK-UNK-7c9d1431-14
0.319
TAT-ENA-80bfd3e5-30
0.319
MAK-UNK-849bee6c-2
0.318
MAK-UNK-849bee6c-17
0.318
DAR-DIA-fb20be43-5
0.317
ANT-STE-dbb91f63-1
0.317
AAR-POS-d2a4d1df-40
0.316
MED-COV-4280ac29-31
0.316
MAK-UNK-e4a48a85-7
0.315
LON-WEI-8f408cad-5
0.315
AAR-POS-0daf6b7e-17
0.315
MAK-UNK-7c9d1431-28
0.315
SAD-SAT-bc31ec01-1
0.315
ANT-STE-dbb91f63-2
0.314
MIH-UNI-e573136b-4
0.314
MAK-UNK-e4a48a85-20
0.314
TAM-UNI-d1c3dd9f-16
0.313