Molecular Properties | |
SMILES: | Cc1ccc2c(C#Cc3ccc(F)cc3O)cc(CN3CCN(C(=O)CCl)CC3)n2c1 |
MW: | 439.918 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 48.19 |
cLogP: | 3.37522 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
AAR-POS-d2a4d1df-24
BOG-INS-699b5a3a-1
0.486
BOG-INS-6c21c533-1
0.397
BOG-INS-29936cf2-1
0.381
AAR-POS-d2a4d1df-24
0.356
DRR-IMP-38dce17f-2
0.352
MAK-UNK-7c9d1431-20
0.341
MAK-UNK-7c9d1431-24
0.337
DRR-IMP-38dce17f-3
0.337
DAR-DIA-fb20be43-1
0.337
SAD-SAT-581007d4-4
0.333
DAR-DIA-fb20be43-2
0.333
MAK-UNK-7c9d1431-21
0.330
HYO-UNK-49a60884-1
0.330
JOH-UNI-0e1753c1-3
0.330
AAR-POS-d2a4d1df-35
0.330
MED-COV-4280ac29-15
0.330
SAD-SAT-581007d4-1
0.326
SAD-SAT-581007d4-2
0.326
SAD-SAT-5b1897b2-5
0.323
SAD-SAT-5b1897b2-2
0.323
NEH-REV-107bcf72-5
0.323
AAR-POS-0daf6b7e-2
0.319
AAR-POS-0daf6b7e-12
0.315
JOH-UNI-27ac80fd-23
0.315
MAR-LAB-ca4662a6-2
0.315
DRR-IMP-38dce17f-6
0.315
JOK-SYG-18591e8f-1
0.312
DAR-DIA-fb20be43-12
0.311
TAM-UNI-d1c3dd9f-17
0.311
MAT-POS-ee51dedd-1
0.309
SAD-SAT-65574d3f-10
0.309
AAR-POS-0daf6b7e-13
0.308
DRR-IMP-38dce17f-1
0.308
LON-WEI-8f408cad-7
0.308
DAR-DIA-fb20be43-7
0.308
MAK-UNK-212f693e-8
0.308
TAT-ENA-80bfd3e5-20
0.306
AAR-POS-d2a4d1df-41
0.306
MAR-TRE-6a44bbf2-12
0.305
DRR-IMP-38dce17f-7
0.304
DRR-IMP-38dce17f-5
0.304
MAK-UNK-6ca90168-14
0.304
MAK-UNK-7c9d1431-29
0.303
MAK-UNK-af83ef51-1
0.303
AHN-SAT-de2502ba-15
0.302
DRR-IMP-38dce17f-4
0.301
PAU-UNI-8cdd41c7-1
0.300
GIA-UNK-7337c2f3-5
0.300
MAR-TRE-6a44bbf2-47
0.299
MAK-UNK-849bee6c-19
0.298
MAK-UNK-849bee6c-2
0.298
SAD-SAT-581007d4-7
0.298
MAT-POS-2db6411e-2
0.298
JIA-UNI-93b03cae-1
0.298
MAK-UNK-7c9d1431-16
0.296
MAR-TRE-6a44bbf2-54
0.296
DAV-CRI-d1e0885a-1
0.296
GIA-UNK-7337c2f3-4
0.296
MED-COV-4280ac29-24
0.295
MAK-UNK-176ca439-7
0.295
HYO-UNK-50298ba0-1
0.294
STE-KUL-2e0d2e88-7
0.294
SAD-SAT-581007d4-3
0.293
AAR-POS-d2a4d1df-40
0.293
MED-COV-4280ac29-31
0.293
MED-COV-4280ac29-33
0.293
DAR-DIA-fb20be43-6
0.292
PAU-UNI-19862c28-1
0.291
DAR-DIA-fb20be43-8
0.291
MED-COV-4280ac29-37
0.291
LON-WEI-8f408cad-5
0.290
AAR-POS-0daf6b7e-17
0.290
MAK-UNK-7c9d1431-28
0.290
SAD-SAT-bc31ec01-1
0.290
SEL-UNI-cd366922-6
0.290
MAK-UNK-176ca439-3
0.290
TAM-UNI-d1c3dd9f-5
0.290
MAK-UNK-cd94b63c-1
0.290
MAK-UNK-849bee6c-18
0.289
JOO-PER-d7ab4f65-1
0.289
MAK-UNK-af83ef51-14
0.289
MAT-POS-162a9720-4
0.289
STE-UNK-13e151dd-1
0.288
DAR-DIA-fb20be43-4
0.288
BRU-LEF-ae0885ba-1
0.288
PAU-UNI-52c0427f-1
0.288
MIH-UNI-e573136b-5
0.287
ANT-STE-dbb91f63-3
0.287
MAK-UNK-e4a48a85-26
0.287
MAK-UNK-e4a48a85-18
0.287
TAM-UNI-d1c3dd9f-18
0.286
MED-COV-4280ac29-8
0.286
DRR-IMP-db50bf6e-1
0.286
MED-COV-4280ac29-25
0.286
MAK-UNK-849bee6c-15
0.284
MAK-UNK-10dfa458-43
0.284
MAK-UNK-af83ef51-17
0.284
MAK-UNK-af83ef51-27
0.284
JOH-UNI-27ac80fd-38
0.284
MAR-TRE-6a44bbf2-3
0.284