Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1 |
MW: | 320.795 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.8619 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-fb20be43-8
0.708
PAU-UNI-19862c28-1
0.708
DAR-DIA-fb20be43-7
0.676
DAR-DIA-fb20be43-6
0.667
MED-COV-4280ac29-31
0.656
AAR-POS-d2a4d1df-40
0.656
DAR-DIA-fb20be43-12
0.581
MAT-POS-4e253971-2
0.493
HYO-UNK-50298ba0-1
0.486
DAR-DIA-fb20be43-9
0.481
PAU-UNI-b2b6b158-1
0.473
MAK-UNK-7c9d1431-20
0.471
DRR-IMP-38dce17f-2
0.464
JOO-PER-58e158bd-1
0.462
JOO-IND-6372a4f3-6
0.453
MAK-UNK-7c9d1431-24
0.453
DRR-IMP-38dce17f-3
0.453
NEH-REV-107bcf72-5
0.443
DRR-IMP-38dce17f-5
0.441
SAD-SAT-bc31ec01-1
0.441
MIH-UNI-e573136b-5
0.440
MIH-UNI-e573136b-4
0.438
JOO-IND-6372a4f3-4
0.432
DAR-DIA-fb20be43-1
0.430
AAR-POS-d2a4d1df-24
0.429
SAD-SAT-581007d4-1
0.429
SEL-UNI-cd366922-6
0.427
DRR-IMP-38dce17f-1
0.426
MED-COV-4280ac29-37
0.423
AAR-POS-0daf6b7e-17
0.420
LON-WEI-8f408cad-5
0.420
SAD-SAT-5b1897b2-5
0.419
SAD-SAT-65574d3f-10
0.419
DRR-IMP-38dce17f-6
0.418
HYO-UNK-49a60884-1
0.414
AAR-POS-d2a4d1df-35
0.414
MED-COV-4280ac29-15
0.414
JOH-UNI-0e1753c1-3
0.414
TAM-UNI-d1c3dd9f-17
0.412
TAM-UNI-d1c3dd9f-18
0.412
JOK-SYG-302da050-2
0.412
AHN-SAT-de2502ba-15
0.411
DRR-IMP-38dce17f-8
0.410
JOO-IND-6372a4f3-5
0.410
DAR-DIA-fb20be43-3
0.407
TAM-UNI-d1c3dd9f-20
0.407
MAK-UNK-7c9d1431-29
0.403
MAT-POS-4e253971-1
0.403
PAU-WEI-3e86dfd8-1
0.402
MAT-POS-ee51dedd-1
0.400
MAK-UNK-7c9d1431-28
0.400
AAR-POS-0daf6b7e-2
0.400
STE-UNK-13e151dd-1
0.400
STU-CHA-bc0a9883-1
0.398
DAR-DIA-fb20be43-11
0.398
NAU-LAT-f723e322-1
0.398
JOK-SYG-302da050-1
0.398
NEH-REV-107bcf72-3
0.397
PAU-UNI-8cdd41c7-1
0.397
MAK-UNK-ec98eaf6-24
0.395
STE-KUL-2e0d2e88-2
0.395
TAT-ENA-80bfd3e5-20
0.395
AAR-POS-d2a4d1df-41
0.395
DRR-IMP-38dce17f-4
0.394
DAR-DIA-3e9bbd81-1
0.393
JIA-UNI-93b03cae-1
0.389
JOK-SYG-18591e8f-1
0.387
MAK-UNK-6ca90168-1
0.387
MAK-UNK-212f693e-8
0.386
LON-WEI-8f408cad-7
0.386
AAR-POS-0daf6b7e-13
0.386
MAK-UNK-c74072e5-2
0.385
GIA-UNK-7337c2f3-5
0.385
SAD-SAT-5b1897b2-2
0.384
DAR-DIA-fb20be43-10
0.382
MAK-UNK-7c9d1431-14
0.382
MAK-UNK-7c9d1431-16
0.382
MAR-TRE-6a44bbf2-54
0.382
DRR-IMP-38dce17f-7
0.380
MAK-UNK-6ca90168-14
0.380
DAR-DIA-caba39e3-7
0.379
MED-COV-4280ac29-5
0.379
NAU-LAT-64f4b287-3
0.378
MED-COV-4280ac29-35
0.378
KRI-MAR-d2e3ef86-6
0.378
MAK-UNK-e4a48a85-26
0.376
TAM-UNI-d1c3dd9f-14
0.376
MAR-LAB-ca4662a6-2
0.375
DAR-DIA-3e9bbd81-2
0.375
AAR-POS-0daf6b7e-12
0.375
JOH-UNI-27ac80fd-23
0.375
JOO-PER-d7ab4f65-1
0.374
DUN-NEW-f8ce3686-2
0.372
TAM-UNI-d1c3dd9f-9
0.372
TAM-UNI-d1c3dd9f-4
0.372
MAK-UNK-af83ef51-1
0.372
DRR-IMP-db50bf6e-4
0.372
SAD-SAT-581007d4-2
0.370
MAT-POS-2db6411e-2
0.370
SAD-SAT-581007d4-7
0.370