Molecular Properties | |
SMILES: | COc1cccc2cncc(N(C)C(=O)Cc3cccc(Cl)c3)c12 |
MW: | 340.1 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 42.43 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-67d4a29a-2
0.716
MIC-UNK-67d4a29a-1
0.699
MIC-UNK-67d4a29a-3
0.680
JOH-UNI-3fc3434e-13
0.654
JOH-UNI-ee5ed7c8-13
0.654
JOH-UNI-ee5ed7c8-5
0.622
JOH-UNI-3fc3434e-5
0.622
RUB-POS-1325a9ea-9
0.582
MIC-UNK-50cce87d-4
0.582
MAT-POS-bb423b95-7
0.550
EDG-MED-0da5ad92-1
0.519
JAN-GHE-83b26c96-15
0.519
PET-UNK-12d8d43f-2
0.494
VLA-UCB-05e51b3f-17
0.482
PET-UNK-12d8d43f-1
0.448
VLA-UCB-05e51b3f-15
0.448
PET-UNK-6c2be958-1
0.448
DAR-DIA-076fb6ea-3
0.448
JOH-UNI-a38a7bdd-1
0.444
PET-UNK-a692de38-1
0.444
MIC-UNK-51049f1a-6
0.440
PET-UNK-5ecb6237-1
0.438
JIN-POS-6dc588a4-3
0.434
JOH-UNI-50ce7ec3-2
0.433
MAT-POS-c20a539d-2
0.432
MIC-UNK-50cce87d-3
0.430
RUB-POS-1325a9ea-2
0.430
RUB-POS-1325a9ea-3
0.430
MIC-UNK-50cce87d-1
0.430
DAR-DIA-076fb6ea-8
0.430
DAR-DIA-56cf811e-1
0.429
VLA-UCB-05e51b3f-16
0.429
JOH-UNI-a38a7bdd-2
0.429
DAR-DIA-076fb6ea-1
0.429
BAR-COM-ebf5acce-5
0.426
DAR-DIA-076fb6ea-15
0.424
MIC-UNK-50cce87d-2
0.424
EDJ-MED-6ab52e52-1
0.424
JIN-POS-6dc588a4-18
0.420
JOH-UNI-50ce7ec3-1
0.419
DAR-DIA-076fb6ea-11
0.418
PET-UNK-b38839dc-2
0.418
DAR-DIA-56cf811e-3
0.417
PET-UNK-6314f867-3
0.416
MAT-POS-29385cc1-2
0.413
JOH-UNI-ee5ed7c8-12
0.412
JOH-UNI-3fc3434e-12
0.412
DAR-DIA-076fb6ea-5
0.411
PET-UNK-b38839dc-1
0.409
MAT-POS-29385cc1-1
0.409
JOH-UNI-a38a7bdd-5
0.406
JAN-GHE-83b26c96-16
0.405
NAU-LAT-4ce8bf23-2
0.404
DAR-DIA-56cf811e-5
0.402
MIC-UNK-51049f1a-5
0.400
MIC-UNK-668ac5de-1
0.400
BEN-DND-1e24cf73-4
0.398
EDJ-MED-c5ca5386-1
0.398
EDJ-MED-00c1612e-1
0.396
JAN-GHE-d851b096-1
0.396
JOH-UNI-3fc3434e-3
0.396
JOH-UNI-ee5ed7c8-3
0.396
PET-UNK-8df914d1-1
0.396
JOH-UNI-a38a7bdd-6
0.394
JOH-UNI-ee5ed7c8-9
0.394
JOH-UNI-3fc3434e-9
0.394
MAT-POS-90fd5f68-21
0.394
JOH-UNI-a38a7bdd-3
0.393
DAR-DIA-076fb6ea-7
0.391
MAT-POS-c20a539d-1
0.391
MAT-POS-90fd5f68-25
0.391
PET-UNK-d899bab6-1
0.391
MAT-POS-8feb6e35-1
0.391
MAT-POS-90fd5f68-7
0.391
DAR-DIA-076fb6ea-4
0.389
ALP-UNI-44c99a80-1
0.388
JOH-UNI-3fc3434e-1
0.387
JOH-UNI-ee5ed7c8-1
0.387
PET-UNK-f4e47ebd-2
0.387
PET-UNK-f4e47ebd-1
0.387
PET-UNK-8df914d1-3
0.386
MAT-POS-90fd5f68-10
0.385
MAT-POS-29385cc1-4
0.385
ALP-UNI-44c99a80-4
0.384
PET-UNK-d899bab6-2
0.383
PET-UNK-bbe8d7ff-1
0.382
PET-UNK-bbe8d7ff-2
0.382
BAR-COM-ebf5acce-8
0.381
JOH-UNI-3fc3434e-10
0.381
MAT-POS-90fd5f68-28
0.381
JOH-UNI-ee5ed7c8-10
0.381
JAN-GHE-5a013bed-6
0.380
MAT-POS-90fd5f68-3
0.379
MIC-UNK-7574fcc6-1
0.378
DAR-DIA-076fb6ea-16
0.378
JIN-POS-6dc588a4-11
0.378
DAR-DIA-076fb6ea-2
0.378
DAR-DIA-56cf811e-2
0.378
JOH-UNI-a38a7bdd-4
0.378
JAN-GHE-5a013bed-5
0.377