Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cc(O)cc3c2OCO3)CC1 |
MW: | 312.753 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.24 |
cLogP: | 1.0039 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter58_polyphenol2
NEH-REV-107bcf72-5
0.538
SAD-SAT-bc31ec01-1
0.470
MAK-UNK-7c9d1431-14
0.465
MAT-POS-2db6411e-2
0.456
SAD-SAT-581007d4-7
0.456
PAU-UNI-8cdd41c7-1
0.424
MED-COV-4280ac29-33
0.419
MAK-UNK-7c9d1431-20
0.414
SAD-SAT-65574d3f-10
0.405
MAK-UNK-7c9d1431-16
0.405
MAR-TRE-6a44bbf2-54
0.405
MED-COV-4280ac29-15
0.400
HYO-UNK-49a60884-1
0.400
AAR-POS-d2a4d1df-40
0.400
MED-COV-4280ac29-31
0.400
AAR-POS-d2a4d1df-35
0.400
JOH-UNI-0e1753c1-3
0.400
DAR-DIA-fb20be43-2
0.397
SAD-SAT-581007d4-1
0.394
SAD-SAT-581007d4-2
0.394
AAR-POS-d2a4d1df-24
0.394
DRR-IMP-38dce17f-3
0.394
MAK-UNK-7c9d1431-24
0.394
MED-COV-4280ac29-37
0.392
AAR-POS-0daf6b7e-13
0.391
DRR-IMP-38dce17f-1
0.391
LON-WEI-8f408cad-7
0.391
MAK-UNK-212f693e-8
0.391
DRR-IMP-38dce17f-2
0.389
MAK-UNK-7c9d1431-29
0.388
AAR-POS-0daf6b7e-17
0.386
MAK-UNK-7c9d1431-28
0.386
LON-WEI-8f408cad-5
0.386
AAR-POS-0daf6b7e-2
0.386
JOH-UNI-27ac80fd-38
0.385
MAK-UNK-7c9d1431-18
0.385
TAM-UNI-d1c3dd9f-17
0.383
DRR-IMP-38dce17f-6
0.382
SAD-SAT-581007d4-3
0.382
JOH-UNI-27ac80fd-23
0.380
DRR-IMP-38dce17f-4
0.380
MAR-LAB-ca4662a6-2
0.380
AAR-POS-0daf6b7e-12
0.380
DRR-IMP-38dce17f-8
0.380
HYO-UNK-50298ba0-1
0.380
JOO-PER-58e158bd-1
0.378
SEL-UNI-cd366922-6
0.377
SAD-SAT-bc31ec01-7
0.377
DAR-DIA-fb20be43-8
0.375
PAU-UNI-19862c28-1
0.375
TAM-UNI-d1c3dd9f-16
0.375
MIH-UNI-e573136b-4
0.373
JOK-SYG-18591e8f-1
0.373
MIH-UNI-e573136b-5
0.372
PAU-UNI-52c0427f-1
0.370
DAR-DIA-fb20be43-4
0.370
STE-UNK-13e151dd-1
0.370
BRU-LEF-ae0885ba-1
0.370
ASH-SAT-43770c7d-5
0.370
TAM-UNI-d1c3dd9f-13
0.369
SAD-SAT-5b1897b2-5
0.368
MAT-POS-ee51dedd-1
0.368
DRR-IMP-38dce17f-5
0.366
MAK-UNK-6ca90168-14
0.366
DRR-IMP-38dce17f-7
0.366
TAM-UNI-d1c3dd9f-18
0.366
MED-COV-4280ac29-35
0.366
DAR-DIA-fb20be43-1
0.366
DAR-DIA-fb20be43-12
0.365
SAD-SAT-581007d4-4
0.364
DAR-DIA-fb20be43-5
0.361
DAR-DIA-fb20be43-3
0.361
DAR-DIA-fb20be43-7
0.361
DAV-CRI-d1e0885a-3
0.361
TAM-UNI-d1c3dd9f-4
0.360
DAR-DIA-fb20be43-6
0.357
MAK-UNK-849bee6c-7
0.357
JIA-UNI-93b03cae-1
0.356
DAV-CRI-d1e0885a-2
0.353
SAD-SAT-5b1897b2-2
0.351
DAV-CRI-d1e0885a-1
0.351
DAR-DIA-fb20be43-9
0.349
MAK-UNK-849bee6c-4
0.348
STU-CHA-6cae54d3-1
0.348
MAK-UNK-849bee6c-18
0.348
TAT-ENA-80bfd3e5-20
0.346
AAR-POS-d2a4d1df-41
0.346
MAK-UNK-849bee6c-19
0.344
AHN-SAT-de2502ba-15
0.342
MAK-UNK-af83ef51-1
0.342
STU-CHA-6d5cfe2b-1
0.341
MAK-UNK-10dfa458-43
0.340
SEL-UNI-cd366922-7
0.337
MAK-UNK-849bee6c-9
0.337
TAM-UNI-d1c3dd9f-5
0.337
STU-CHA-0f79177c-1
0.337
JOK-SYG-302da050-2
0.337
MAK-UNK-af83ef51-22
0.337
MAK-UNK-849bee6c-24
0.337
TAM-UNI-d1c3dd9f-12
0.333