Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(CC2=CC3OCOC3C=C2)CC1 |
MW: | 298.11 |
Fraction sp3: | 0.64 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 42.01 |
cLogP: | 0.61 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SAD-SAT-bc31ec01-8
0.529
SAD-SAT-bc31ec01-1
0.418
MAK-UNK-7c9d1431-14
0.417
DRR-IMP-38dce17f-3
0.406
MAK-UNK-7c9d1431-24
0.406
SAD-SAT-5b1897b2-2
0.400
MAK-UNK-7c9d1431-29
0.400
LON-WEI-8f408cad-5
0.397
DRR-IMP-38dce17f-5
0.397
DRR-IMP-38dce17f-7
0.397
MAK-UNK-6ca90168-14
0.397
MAK-UNK-7c9d1431-28
0.397
AAR-POS-0daf6b7e-17
0.397
AAR-POS-0daf6b7e-2
0.397
DRR-IMP-38dce17f-6
0.394
PAU-UNI-8cdd41c7-1
0.394
DRR-IMP-38dce17f-4
0.391
MAR-LAB-ca4662a6-2
0.391
AAR-POS-0daf6b7e-12
0.391
JOH-UNI-27ac80fd-23
0.391
MAK-UNK-7c9d1431-21
0.389
MAK-UNK-7c9d1431-20
0.386
AAR-POS-0daf6b7e-13
0.382
DRR-IMP-38dce17f-1
0.382
LON-WEI-8f408cad-7
0.382
MAK-UNK-212f693e-8
0.382
NEH-REV-107bcf72-5
0.380
NEH-REV-107bcf72-3
0.377
JOH-UNI-27ac80fd-38
0.377
AAR-POS-d2a4d1df-41
0.373
TAT-ENA-80bfd3e5-20
0.373
JOH-UNI-0e1753c1-3
0.371
HYO-UNK-49a60884-1
0.371
AAR-POS-d2a4d1df-35
0.371
MED-COV-4280ac29-15
0.371
SEL-UNI-cd366922-6
0.368
SAD-SAT-581007d4-7
0.366
AAR-POS-d2a4d1df-24
0.366
JIA-UNI-93b03cae-1
0.366
SAD-SAT-581007d4-1
0.366
SAD-SAT-581007d4-2
0.366
MAT-POS-2db6411e-2
0.366
MIH-UNI-e573136b-5
0.364
DRR-IMP-38dce17f-2
0.361
ASH-SAT-43770c7d-5
0.361
SAD-SAT-65574d3f-10
0.360
MAR-TRE-6a44bbf2-54
0.360
MAK-UNK-7c9d1431-16
0.360
DAV-CRI-d1e0885a-1
0.360
MED-COV-4280ac29-35
0.358
NAU-LAT-64f4b287-3
0.358
MED-COV-4280ac29-31
0.355
AAR-POS-d2a4d1df-40
0.355
MED-COV-4280ac29-33
0.355
DRR-IMP-38dce17f-8
0.354
HYO-UNK-50298ba0-1
0.354
DAR-DIA-fb20be43-5
0.354
AHN-SAT-de2502ba-15
0.351
JOK-SYG-18591e8f-1
0.347
DAR-DIA-fb20be43-4
0.346
PAU-UNI-52c0427f-1
0.346
DAV-CRI-d1e0885a-4
0.346
BRU-LEF-ae0885ba-1
0.346
DAV-CRI-d1e0885a-2
0.345
MAK-UNK-c74072e5-10
0.344
MAT-POS-ee51dedd-1
0.342
SAD-SAT-5b1897b2-5
0.342
MAK-UNK-7c9d1431-18
0.342
DAR-DIA-fb20be43-1
0.341
MED-COV-4280ac29-8
0.341
MAK-UNK-e4a48a85-26
0.341
SAD-SAT-1b030f84-9
0.340
SAD-SAT-581007d4-3
0.338
SAD-SAT-581007d4-4
0.338
DAR-DIA-fb20be43-2
0.338
MED-COV-4280ac29-24
0.337
DAV-CRI-d1e0885a-3
0.337
DAR-DIA-fb20be43-3
0.337
DAR-DIA-fb20be43-7
0.337
STU-CHA-464c0256-1
0.337
MIH-UNI-e573136b-4
0.333
MED-COV-4280ac29-37
0.333
DAV-CRI-d1e0885a-6
0.333
MAK-UNK-af83ef51-1
0.333
DAR-DIA-fb20be43-6
0.333
DAV-CRI-d1e0885a-5
0.333
DAR-DIA-fb20be43-8
0.333
PAU-UNI-19862c28-1
0.333
MAK-UNK-e4a48a85-20
0.333
TOB-UNK-c2aba166-1
0.333
MAK-UNK-10dfa458-38
0.330
SEL-UNI-cd366922-7
0.329
STE-UNK-13e151dd-1
0.329
MAK-UNK-987948f6-5
0.328
STU-CHA-6cae54d3-1
0.326
TAM-UNI-d1c3dd9f-12
0.326
MED-COV-4280ac29-25
0.325
TAM-UNI-d1c3dd9f-17
0.325
JOH-UNI-27ac80fd-39
0.325
TAM-UNI-d1c3dd9f-18
0.325