Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2ccncc2)CC1 |
MW: | 253.1 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 0.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DRR-IMP-38dce17f-3
0.625
MAK-UNK-7c9d1431-24
0.625
DRR-IMP-38dce17f-4
0.615
MAK-UNK-7c9d1431-29
0.612
PAU-UNI-8cdd41c7-1
0.569
DRR-IMP-38dce17f-7
0.566
MAK-UNK-6ca90168-14
0.566
DRR-IMP-38dce17f-5
0.566
LON-WEI-8f408cad-7
0.547
MAK-UNK-212f693e-8
0.547
AAR-POS-0daf6b7e-13
0.547
JIA-UNI-93b03cae-1
0.545
JOH-UNI-0e1753c1-3
0.527
AAR-POS-d2a4d1df-35
0.527
HYO-UNK-49a60884-1
0.527
MED-COV-4280ac29-15
0.527
SAD-SAT-5b1897b2-5
0.525
AAR-POS-d2a4d1df-24
0.518
SAD-SAT-581007d4-7
0.518
SAD-SAT-581007d4-1
0.518
SAD-SAT-581007d4-2
0.518
MAT-POS-2db6411e-2
0.518
LON-WEI-8f408cad-5
0.509
AAR-POS-0daf6b7e-17
0.509
DRR-IMP-38dce17f-2
0.509
MAK-UNK-af83ef51-1
0.508
MAK-UNK-7c9d1431-21
0.492
MAK-UNK-7c9d1431-20
0.491
DRR-IMP-38dce17f-1
0.491
JOK-SYG-18591e8f-1
0.483
AAR-POS-0daf6b7e-2
0.482
MAK-UNK-7c9d1431-28
0.482
MAR-TRE-6a44bbf2-54
0.475
MAT-POS-ee51dedd-1
0.475
MAK-UNK-7c9d1431-14
0.475
MAK-UNK-7c9d1431-16
0.475
PEI-IMP-ca0b2813-2
0.474
MAR-LAB-ca4662a6-2
0.474
AAR-POS-0daf6b7e-12
0.474
JOH-UNI-27ac80fd-23
0.474
SAD-SAT-581007d4-4
0.468
MED-COV-4280ac29-33
0.468
SAD-SAT-581007d4-3
0.468
STE-KUL-2e0d2e88-7
0.462
SAD-SAT-5b1897b2-2
0.458
NEH-REV-107bcf72-5
0.458
SAD-SAT-bc31ec01-1
0.456
JOO-PER-58e158bd-1
0.456
MAK-UNK-7c9d1431-18
0.446
MAK-UNK-849bee6c-9
0.443
AHN-SAT-de2502ba-15
0.443
MED-COV-4280ac29-8
0.441
MED-COV-4280ac29-25
0.441
SAD-SAT-1b030f84-9
0.439
NIM-UNI-310206f0-1
0.438
ASH-SAT-43770c7d-5
0.433
TAM-UNI-d1c3dd9f-16
0.433
MAK-UNK-849bee6c-7
0.429
DAV-CRI-d1e0885a-1
0.429
SAD-SAT-65574d3f-10
0.429
SEL-UNI-cd366922-7
0.426
TAM-UNI-d1c3dd9f-5
0.423
TAM-UNI-d1c3dd9f-6
0.423
MED-COV-4280ac29-31
0.422
TAT-ENA-80bfd3e5-20
0.422
AAR-POS-d2a4d1df-41
0.422
AAR-POS-d2a4d1df-40
0.422
NAU-LAT-64f4b287-3
0.420
DAR-DIA-fb20be43-2
0.418
NIR-THE-b7e8e081-2
0.418
BEN-DND-6de5dfa0-16
0.418
FAB-UNK-7ad5ab26-2
0.418
MED-COV-4280ac29-19
0.417
SEL-UNI-cd366922-6
0.415
TOB-UNK-c2aba166-1
0.412
MAK-UNK-15efde89-1
0.410
MIH-UNI-e573136b-5
0.409
MAK-UNK-e4a48a85-20
0.408
MAK-UNK-849bee6c-5
0.408
MAK-UNK-849bee6c-6
0.408
STE-UNK-13e151dd-1
0.406
MAK-UNK-849bee6c-14
0.405
MAK-UNK-704ed37c-11
0.404
AAR-POS-d2a4d1df-29
0.404
MAR-TRE-6a44bbf2-61
0.404
STE-KUL-2e0d2e88-3
0.403
PAU-UNI-b2b6b158-1
0.403
MAK-UNK-cd94b63c-1
0.403
MAK-UNK-e4a48a85-21
0.403
MAK-UNK-176ca439-3
0.403
DAR-DIA-fb20be43-1
0.400
TAM-UNI-d1c3dd9f-12
0.397
ANT-STE-dbb91f63-3
0.397
HYO-UNK-50298ba0-1
0.397
DRR-IMP-38dce17f-8
0.397
AAR-POS-0daf6b7e-16
0.397
MAK-UNK-849bee6c-4
0.395
MAK-UNK-849bee6c-12
0.395
MAK-UNK-849bee6c-16
0.395
ANT-STE-dbb91f63-1
0.394