Molecular Properties | |
SMILES: | CN(C(=O)Cc1cccc(Cl)c1)c1cncc2cccc(Cl)c12 |
MW: | 344.05 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 33.2 |
cLogP: | 4.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-67d4a29a-3
0.718
MIC-UNK-67d4a29a-2
0.708
MIC-UNK-67d4a29a-4
0.699
JOH-UNI-3fc3434e-13
0.689
JOH-UNI-ee5ed7c8-13
0.689
JOH-UNI-3fc3434e-5
0.675
JOH-UNI-ee5ed7c8-5
0.675
MAT-POS-bb423b95-7
0.579
EDJ-MED-6ab52e52-1
0.539
MIC-UNK-50cce87d-2
0.539
EDG-MED-0da5ad92-1
0.527
JAN-GHE-83b26c96-15
0.527
PET-UNK-5ecb6237-1
0.476
VLA-UCB-05e51b3f-17
0.470
PET-UNK-12d8d43f-1
0.470
PET-UNK-12d8d43f-2
0.465
MIC-UNK-51049f1a-6
0.463
JOH-UNI-50ce7ec3-2
0.453
PET-UNK-6c2be958-1
0.452
VLA-UCB-05e51b3f-15
0.452
MIC-UNK-50cce87d-3
0.451
MIC-UNK-50cce87d-1
0.451
RUB-POS-1325a9ea-3
0.451
RUB-POS-1325a9ea-2
0.451
DAR-DIA-076fb6ea-8
0.449
JOH-UNI-a38a7bdd-1
0.448
PET-UNK-a692de38-1
0.448
DAR-DIA-56cf811e-1
0.448
JOH-UNI-ee5ed7c8-12
0.446
JOH-UNI-3fc3434e-12
0.446
DAR-DIA-076fb6ea-5
0.444
DAR-DIA-076fb6ea-15
0.443
MIC-UNK-50cce87d-4
0.440
RUB-POS-1325a9ea-9
0.440
PET-UNK-6314f867-3
0.435
EDJ-MED-c5ca5386-1
0.434
JOH-UNI-a38a7bdd-2
0.432
VLA-UCB-05e51b3f-16
0.432
DAR-DIA-076fb6ea-1
0.432
NAU-LAT-4ce8bf23-2
0.422
JOH-UNI-50ce7ec3-1
0.422
DAR-DIA-076fb6ea-3
0.421
DAR-DIA-076fb6ea-11
0.421
JOH-UNI-ee5ed7c8-1
0.420
JOH-UNI-3fc3434e-1
0.420
MIC-UNK-51049f1a-5
0.419
MIC-UNK-668ac5de-1
0.419
PET-UNK-bbe8d7ff-1
0.417
JOH-UNI-ee5ed7c8-3
0.414
JOH-UNI-3fc3434e-3
0.414
JOH-UNI-a38a7bdd-3
0.412
DAR-DIA-56cf811e-2
0.412
MIC-UNK-7574fcc6-1
0.412
JOH-UNI-ee5ed7c8-9
0.411
JOH-UNI-3fc3434e-9
0.411
JOH-UNI-a38a7bdd-6
0.411
PET-UNK-d899bab6-1
0.409
DAR-DIA-076fb6ea-7
0.409
MAT-POS-90fd5f68-7
0.409
MAT-POS-90fd5f68-25
0.409
MAT-POS-8feb6e35-1
0.409
JOH-UNI-a38a7bdd-5
0.409
JAN-GHE-83b26c96-16
0.407
PET-UNK-8df914d1-3
0.405
ALP-UNI-44c99a80-1
0.404
DAR-DIA-56cf811e-3
0.404
DAR-DIA-56cf811e-5
0.404
JAN-GHE-5a013bed-10
0.403
MAT-POS-29385cc1-4
0.402
MAT-POS-90fd5f68-10
0.402
ALP-UNI-44c99a80-4
0.400
PET-UNK-bbe8d7ff-2
0.400
PET-UNK-d899bab6-2
0.400
MAT-POS-90fd5f68-28
0.398
JOH-UNI-3fc3434e-10
0.398
JOH-UNI-ee5ed7c8-10
0.398
JAN-GHE-d851b096-1
0.398
BAR-COM-ebf5acce-4
0.396
MAT-POS-90fd5f68-3
0.396
MAT-POS-90fd5f68-21
0.396
DAR-DIA-076fb6ea-16
0.395
JOH-UNI-a38a7bdd-4
0.395
DAR-DIA-076fb6ea-2
0.395
TRY-UNI-714a760b-3
0.395
EDJ-MED-c5ca5386-2
0.393
DAR-DIA-076fb6ea-6
0.393
DAR-DIA-076fb6ea-9
0.392
PET-UNK-e274cad4-1
0.391
RUB-POS-1325a9ea-14
0.391
BAR-COM-ebf5acce-9
0.389
PET-UNK-d899bab6-3
0.389
EDJ-MED-a364e151-3
0.388
PET-UNK-e274cad4-6
0.388
PET-UNK-b1ef24dc-2
0.388
JOH-UNI-a38a7bdd-7
0.387
JOH-UNI-a38a7bdd-8
0.387
PET-UNK-e8c7a26f-2
0.386
VLA-UNK-411a133b-2
0.385
JIN-POS-6dc588a4-14
0.384
MAT-POS-199e2e7c-1
0.384