Molecular Properties | |
SMILES: | COc1ccccc1-n1cc(CN2CCN(C(=O)CCl)CC2)nn1 |
MW: | 349.822 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 63.49 |
cLogP: | 1.1589 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-7
ANT-STE-dbb91f63-1
0.571
ANT-STE-dbb91f63-2
0.556
STE-KUL-2e0d2e88-7
0.500
DRR-IMP-38dce17f-5
0.479
NIM-UNI-594fbbb6-3
0.471
NIM-UNI-bb610069-3
0.471
JOH-UNK-14e6adc5-7
0.420
SAD-SAT-65574d3f-10
0.418
SAD-SAT-5b1897b2-5
0.418
JOH-UNK-14e6adc5-8
0.412
DRR-IMP-38dce17f-3
0.408
MAK-UNK-7c9d1431-24
0.408
SAD-SAT-5b1897b2-2
0.403
DRR-IMP-38dce17f-6
0.397
AAR-POS-d2a4d1df-24
0.390
MAK-UNK-7c9d1431-20
0.390
DRR-IMP-38dce17f-4
0.377
DRR-IMP-38dce17f-8
0.376
DAR-DIA-fb20be43-7
0.375
JOK-SYG-18591e8f-1
0.370
DRR-IMP-38dce17f-1
0.368
MAK-UNK-7c9d1431-29
0.365
AAR-POS-0daf6b7e-17
0.364
LON-WEI-8f408cad-5
0.364
MAK-UNK-7c9d1431-28
0.364
JOH-UNI-0e1753c1-3
0.359
HYO-UNK-49a60884-1
0.359
MAR-LAB-ca4662a6-2
0.359
JOH-UNI-27ac80fd-23
0.359
AAR-POS-0daf6b7e-12
0.359
MED-COV-4280ac29-15
0.359
AAR-POS-d2a4d1df-35
0.359
TAM-UNI-d1c3dd9f-9
0.359
DUN-NEW-f8ce3686-2
0.359
MAK-UNK-af83ef51-1
0.357
SEL-UNI-cd366922-6
0.357
MED-COV-4280ac29-37
0.356
NIM-UNI-02269248-3
0.352
LON-WEI-8f408cad-7
0.351
AAR-POS-0daf6b7e-13
0.351
MAK-UNK-212f693e-8
0.351
DRR-IMP-38dce17f-2
0.350
NEH-REV-107bcf72-5
0.350
PAU-UNI-b2b6b158-1
0.349
MAK-UNK-7c9d1431-18
0.349
JOH-UNI-27ac80fd-38
0.349
TAM-UNI-d1c3dd9f-17
0.348
MAK-UNK-6ca90168-14
0.346
DRR-IMP-38dce17f-7
0.346
AAR-POS-0daf6b7e-2
0.346
AAR-POS-d2a4d1df-40
0.345
MED-COV-4280ac29-31
0.345
AAR-POS-d2a4d1df-41
0.345
TAT-ENA-80bfd3e5-20
0.345
MAK-UNK-7c9d1431-19
0.345
MED-COV-4280ac29-33
0.345
DAR-DIA-fb20be43-2
0.345
DAR-DIA-fb20be43-5
0.344
PAU-UNI-8cdd41c7-1
0.342
AHN-SAT-de2502ba-15
0.341
SAD-SAT-5b1897b2-10
0.338
JIA-UNI-93b03cae-1
0.338
SAD-SAT-581007d4-2
0.338
MAT-POS-2db6411e-2
0.338
SAD-SAT-581007d4-7
0.338
MIH-UNI-e573136b-5
0.337
TAM-UNI-d1c3dd9f-13
0.337
MAR-TRE-6a44bbf2-54
0.333
MAT-POS-ee51dedd-1
0.333
MAK-UNK-7c9d1431-14
0.333
MED-COV-4280ac29-8
0.333
MED-COV-4280ac29-25
0.333
MAK-UNK-7c9d1431-16
0.333
AAR-POS-d2a4d1df-28
0.329
SAD-SAT-bc31ec01-1
0.329
MAK-UNK-176ca439-4
0.327
MAK-UNK-3c359d2a-1
0.327
MAK-UNK-849bee6c-14
0.326
DAR-DIA-fb20be43-8
0.326
PAU-UNI-19862c28-1
0.326
DUN-NEW-f8ce3686-3
0.326
MAK-UNK-7c9d1431-21
0.325
TAM-UNI-d1c3dd9f-2
0.323
MAK-UNK-176ca439-3
0.323
MAK-UNK-cd94b63c-1
0.323
STE-UNK-13e151dd-1
0.322
PEI-IMP-ca0b2813-3
0.322
AHN-SAT-de2502ba-14
0.321
SAD-SAT-65574d3f-1
0.321
SAD-SAT-581007d4-1
0.321
MAK-UNK-e4a48a85-26
0.319
MED-COV-4280ac29-19
0.319
JOH-UNI-27ac80fd-39
0.319
NAU-LAT-64f4b287-3
0.319
TAM-UNI-d1c3dd9f-18
0.319
DAR-DIA-fb20be43-1
0.319
DAV-CRI-d1e0885a-1
0.318
ASH-SAT-43770c7d-5
0.317
MAK-UNK-15efde89-1
0.317
DAR-DIA-fb20be43-18
0.317