Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)Nc2ccccc2O)CC1 |
MW: | 297.742 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 72.88 |
cLogP: | 1.3071 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
catechol
AAR-POS-d2a4d1df-4
SWA-SYN-d2e6fa14-1
1.000
SWA-SYN-d2e6fa14-3
0.613
SWA-SYN-6423ea73-3
0.613
AHN-SAT-de2502ba-7
0.554
MAR-TRE-6a44bbf2-15
0.541
AAR-POS-0daf6b7e-6
0.541
SWA-SYN-6423ea73-2
0.516
SWA-SYN-d2e6fa14-2
0.516
VIK-SYN-bf9c9ac8-2
0.444
MAK-UNK-704ed37c-12
0.442
VIK-SYN-9a3d118a-1
0.436
MAK-UNK-3f402c2b-19
0.435
SAD-SAT-1b030f84-9
0.422
MAK-UNK-704ed37c-11
0.420
MAK-UNK-987948f6-2
0.407
SWA-SYN-6423ea73-7
0.403
SWA-SYN-d2e6fa14-7
0.403
MAR-TRE-6a44bbf2-27
0.400
SIM-SYN-f15aaa3a-1
0.393
AAR-POS-0daf6b7e-16
0.387
SAD-SAT-5b1897b2-10
0.387
SEL-UNI-cd366922-6
0.386
DRR-IMP-38dce17f-3
0.383
MAK-UNK-7c9d1431-24
0.383
MAK-UNK-6ca90168-10
0.381
AAR-POS-d2a4d1df-34
0.373
DRR-IMP-dff87f5e-5
0.373
MAR-TRE-6a44bbf2-8
0.373
AAR-POS-0daf6b7e-21
0.373
GIA-UNK-20b63697-6
0.371
LON-WEI-120e5cf5-16
0.371
AAR-POS-d2a4d1df-29
0.371
MAR-TRE-6a44bbf2-61
0.371
DRR-IMP-db50bf6e-2
0.368
GIA-UNK-7337c2f3-2
0.366
DAR-DIA-3e9bbd81-12
0.366
JOH-UNI-27ac80fd-25
0.365
MAK-UNK-3d7e3904-3
0.365
SAD-SAT-65574d3f-1
0.364
MED-COV-4280ac29-6
0.364
MAK-UNK-6ca90168-4
0.364
AHN-SAT-de2502ba-14
0.364
MAR-TRE-6a44bbf2-92
0.364
GIA-UNK-20b63697-1
0.362
STE-KUL-2e0d2e88-1
0.362
GIA-UNK-7337c2f3-8
0.361
GIA-UNK-7337c2f3-5
0.361
MAR-TRE-6a44bbf2-21
0.359
SAD-SAT-65574d3f-9
0.359
SAD-SAT-5b1897b2-3
0.359
MAK-UNK-7c9d1431-9
0.359
GIA-UNK-20b63697-7
0.358
MAK-UNK-15efde89-1
0.358
MAK-UNK-6ca90168-9
0.358
SAD-SAT-1b030f84-8
0.357
MAK-UNK-52a1ef4b-1
0.356
GIA-UNK-7337c2f3-15
0.355
DRR-IMP-db50bf6e-3
0.355
MAT-POS-162a9720-4
0.355
LON-WEI-8f408cad-5
0.354
DRR-IMP-38dce17f-5
0.354
MAK-UNK-6ca90168-15
0.354
MAK-UNK-987948f6-3
0.354
ASH-SAT-43770c7d-10
0.354
AAR-POS-0daf6b7e-17
0.354
SAD-SAT-5b1897b2-4
0.354
MAK-UNK-7c9d1431-27
0.353
GIA-UNK-7337c2f3-6
0.352
AAR-POS-d2a4d1df-25
0.349
SAD-SAT-3a925b8b-5
0.349
DRR-IMP-db50bf6e-1
0.349
AHN-SAT-de2502ba-8
0.349
DRR-IMP-38dce17f-6
0.349
MAK-UNK-6ca90168-20
0.349
AAR-POS-d2a4d1df-22
0.348
LON-WEI-8f408cad-3
0.348
MAR-TRE-6a44bbf2-52
0.348
MAK-UNK-af83ef51-2
0.348
SEL-UNI-cd366922-2
0.347
MAK-UNK-3d7e3904-2
0.347
GIA-UNK-7337c2f3-11
0.347
MAK-UNK-987948f6-5
0.345
MAK-UNK-6ca90168-16
0.345
AAR-POS-d2a4d1df-24
0.343
AAR-POS-d2a4d1df-32
0.343
MAK-UNK-7c9d1431-12
0.343
MAK-UNK-7c9d1431-20
0.343
MAK-UNK-7c9d1431-23
0.343
MAR-TRE-6a44bbf2-28
0.343
LON-WEI-8f408cad-2
0.343
MAR-TRE-6a44bbf2-4
0.343
MAK-UNK-6ca90168-5
0.343
GIA-UNK-7337c2f3-1
0.343
MAK-UNK-6ca90168-3
0.343
MAK-UNK-6ca90168-6
0.343
MAK-UNK-6ca90168-1
0.343
AHN-SAT-de2502ba-1
0.342
MED-COV-4280ac29-18
0.342
MAK-UNK-7c9d1431-3
0.342
DRR-IMP-dff87f5e-2
0.342