Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2c(Cl)cccc2Cl)CC1 |
MW: | 320.02 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AHN-SAT-de2502ba-15
0.731
DRR-IMP-38dce17f-3
0.538
MAK-UNK-7c9d1431-24
0.538
AAR-POS-d2a4d1df-35
0.536
HYO-UNK-49a60884-1
0.536
MED-COV-4280ac29-15
0.536
JOH-UNI-0e1753c1-3
0.536
MAK-UNK-7c9d1431-29
0.528
DRR-IMP-38dce17f-2
0.517
DRR-IMP-38dce17f-4
0.509
AAR-POS-d2a4d1df-24
0.500
ASH-SAT-43770c7d-5
0.492
AAR-POS-0daf6b7e-2
0.491
LON-WEI-8f408cad-5
0.491
SAD-SAT-bc31ec01-1
0.491
DRR-IMP-38dce17f-5
0.491
MAK-UNK-7c9d1431-28
0.491
AAR-POS-0daf6b7e-17
0.491
DRR-IMP-38dce17f-6
0.491
PAU-UNI-8cdd41c7-1
0.491
MAK-UNK-7c9d1431-20
0.475
SAD-SAT-581007d4-1
0.475
MAK-UNK-212f693e-8
0.474
DRR-IMP-dff87f5e-4
0.474
AAR-POS-0daf6b7e-13
0.474
LON-WEI-8f408cad-7
0.474
JOK-SYG-18591e8f-1
0.468
DRR-IMP-38dce17f-7
0.466
MAK-UNK-6ca90168-14
0.466
MED-COV-4280ac29-24
0.464
MAT-POS-ee51dedd-1
0.460
JOH-UNI-27ac80fd-23
0.458
MAR-LAB-ca4662a6-2
0.458
AAR-POS-0daf6b7e-12
0.458
MED-COV-4280ac29-31
0.453
AAR-POS-d2a4d1df-40
0.453
SAD-SAT-581007d4-7
0.450
MAT-POS-2db6411e-2
0.450
JIA-UNI-93b03cae-1
0.450
SAD-SAT-581007d4-2
0.450
NEH-REV-107bcf72-5
0.443
MAK-UNK-7c9d1431-14
0.438
SAD-SAT-5b1897b2-5
0.438
STE-UNK-13e151dd-1
0.435
MAK-UNK-7c9d1431-18
0.433
DAR-DIA-fb20be43-2
0.426
HYO-UNK-50298ba0-1
0.426
SAD-SAT-65574d3f-1
0.426
AHN-SAT-de2502ba-14
0.426
MAK-UNK-af83ef51-1
0.424
SEL-UNI-cd366922-6
0.424
TOB-UNK-c2aba166-1
0.423
PAU-UNI-19862c28-1
0.420
DAR-DIA-fb20be43-8
0.420
DAV-CRI-d1e0885a-5
0.420
DAV-CRI-d1e0885a-6
0.420
SAD-SAT-5b1897b2-2
0.419
SAD-SAT-1b030f84-9
0.419
MIH-UNI-e573136b-5
0.418
MAR-TRE-6a44bbf2-54
0.415
MAK-UNK-7c9d1431-16
0.415
DAV-CRI-d1e0885a-1
0.415
DAV-CRI-d1e0885a-4
0.414
PAU-UNI-b2b6b158-1
0.412
TAM-UNI-d1c3dd9f-13
0.411
TAT-ENA-80bfd3e5-20
0.409
AAR-POS-d2a4d1df-41
0.409
SAD-SAT-581007d4-3
0.409
MED-COV-4280ac29-33
0.409
DRR-IMP-dff87f5e-8
0.406
MAK-UNK-7c9d1431-21
0.406
STE-KUL-2e0d2e88-7
0.406
TAM-UNI-d1c3dd9f-14
0.405
DAR-DIA-fb20be43-9
0.405
LON-WEI-8f408cad-2
0.403
MAK-UNK-7c9d1431-12
0.403
AAR-POS-d2a4d1df-32
0.403
MAR-TRE-6a44bbf2-4
0.403
TAM-UNI-d1c3dd9f-15
0.400
MED-COV-4280ac29-37
0.400
SAD-SAT-65574d3f-9
0.400
MAK-UNK-176ca439-2
0.397
MAK-UNK-849bee6c-7
0.397
MIH-UNI-e573136b-4
0.397
MAK-UNK-15efde89-1
0.397
BEN-DND-03406596-10
0.397
AAR-POS-d2a4d1df-23
0.397
MAR-TRE-6a44bbf2-18
0.397
LON-WEI-8f408cad-4
0.397
MAK-UNK-849bee6c-14
0.395
SAD-SAT-65574d3f-10
0.394
TAT-ENA-80bfd3e5-30
0.394
MAK-UNK-6ca90168-15
0.393
MAK-UNK-849bee6c-9
0.392
MAK-UNK-cd94b63c-1
0.392
MAK-UNK-176ca439-3
0.392
TAM-UNI-d1c3dd9f-5
0.392
MAR-TRE-6a44bbf2-3
0.391
NEH-REV-107bcf72-3
0.391
SIM-SYN-f15aaa3a-1
0.390