Molecular Properties | |
SMILES: | CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 309.16 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 26.79 |
cLogP: | 1.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
AAR-POS-d2a4d1df-24
0.649
MED-COV-4280ac29-15
0.632
AAR-POS-d2a4d1df-35
0.632
HYO-UNK-49a60884-1
0.632
JOH-UNI-0e1753c1-3
0.632
DRR-IMP-38dce17f-2
0.610
MAT-POS-ee51dedd-1
0.571
DRR-IMP-38dce17f-3
0.554
MAK-UNK-7c9d1431-24
0.554
MAK-UNK-849bee6c-9
0.528
TAM-UNI-d1c3dd9f-12
0.521
MAK-UNK-cd94b63c-1
0.507
MAK-UNK-176ca439-3
0.507
MAK-UNK-849bee6c-14
0.507
DRR-IMP-38dce17f-4
0.500
SAD-SAT-5b1897b2-5
0.500
MAK-UNK-849bee6c-7
0.493
LON-WEI-8f408cad-7
0.492
AAR-POS-0daf6b7e-13
0.492
MAK-UNK-212f693e-8
0.492
MAK-UNK-7c9d1431-29
0.492
DRR-IMP-38dce17f-6
0.483
PAU-UNI-8cdd41c7-1
0.483
MAK-UNK-e4a48a85-7
0.481
MAK-UNK-7c9d1431-16
0.478
MAK-UNK-7c9d1431-14
0.478
MAR-TRE-6a44bbf2-54
0.478
MAK-UNK-849bee6c-8
0.469
SAD-SAT-581007d4-2
0.469
MAK-UNK-176ca439-2
0.468
DRR-IMP-38dce17f-1
0.468
MAK-UNK-176ca439-4
0.463
MAK-UNK-3c359d2a-1
0.463
LON-WEI-8f408cad-5
0.460
AAR-POS-0daf6b7e-17
0.460
MAK-UNK-6ca90168-14
0.460
DRR-IMP-38dce17f-7
0.460
MAK-UNK-7c9d1431-28
0.460
MAK-UNK-849bee6c-15
0.458
MAK-UNK-849bee6c-12
0.456
MAK-UNK-849bee6c-4
0.456
MAK-UNK-849bee6c-16
0.456
JOH-UNI-0e1753c1-2
0.453
MAK-UNK-7c9d1431-18
0.451
MAK-UNK-849bee6c-5
0.450
MAK-UNK-849bee6c-6
0.450
WIL-LEE-23e8b574-3
0.449
MED-COV-4280ac29-33
0.449
TAM-UNI-d1c3dd9f-5
0.447
SAD-SAT-581007d4-1
0.446
JIA-UNI-93b03cae-1
0.446
MAT-POS-2db6411e-2
0.446
SAD-SAT-581007d4-7
0.446
MAK-UNK-7c9d1431-20
0.446
STE-KUL-2e0d2e88-7
0.444
JOH-UNI-23d9e1b1-1
0.439
DRR-IMP-38dce17f-5
0.438
JOH-UNI-0e1753c1-1
0.435
SEL-UNI-cd366922-7
0.432
MAR-LAB-ca4662a6-2
0.431
MAK-UNK-af83ef51-20
0.430
JAN-GHE-1d98ec1c-2
0.429
SAD-SAT-581007d4-4
0.429
TAM-UNI-d1c3dd9f-6
0.429
MAK-UNK-849bee6c-3
0.429
MAK-UNK-849bee6c-13
0.429
MAK-UNK-849bee6c-17
0.429
MAK-UNK-7c9d1431-21
0.426
AHN-SAT-de2502ba-15
0.426
MAK-UNK-10dfa458-45
0.424
MAK-UNK-af83ef51-1
0.423
NEH-REV-107bcf72-5
0.418
MAK-UNK-6ca90168-13
0.418
MAK-UNK-15efde89-1
0.418
JAN-GHE-1d98ec1c-8
0.417
AAR-POS-0daf6b7e-2
0.415
SAD-SAT-65574d3f-10
0.414
MAK-UNK-176ca439-7
0.413
MAR-TRE-6a44bbf2-61
0.413
AAR-POS-d2a4d1df-29
0.413
MAK-UNK-af83ef51-21
0.411
AAR-POS-0daf6b7e-12
0.409
JOH-UNI-27ac80fd-23
0.409
SAD-SAT-581007d4-3
0.408
AAR-POS-d2a4d1df-40
0.408
MED-COV-4280ac29-31
0.408
MAK-UNK-e4a48a85-26
0.405
SEL-UNI-cd366922-6
0.403
DAR-DIA-fb20be43-7
0.403
MAK-UNK-af83ef51-19
0.402
PAU-UNI-19862c28-1
0.400
MAK-UNK-af83ef51-10
0.400
MED-COV-4280ac29-1
0.400
SEL-UNI-cd366922-8
0.400
MAK-UNK-af83ef51-14
0.400
DAR-DIA-fb20be43-8
0.400
TAM-UNI-d1c3dd9f-16
0.400
MAK-UNK-176ca439-6
0.398
MAK-UNK-69e28b36-1
0.398
SAD-SAT-5b1897b2-2
0.397