Molecular Properties | |
SMILES: | N#CC#CN(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 345.07 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 56.99 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
enamine
triple bond
DAR-DIA-5ff57136-1
PET-UNK-5ecb6237-1
0.763
DAR-DIA-076fb6ea-9
0.652
PET-UNK-a692de38-1
0.639
MAT-POS-bb423b95-7
0.625
VLA-UCB-05e51b3f-17
0.610
VLA-UCB-05e51b3f-15
0.590
PET-UNK-12d8d43f-1
0.590
PET-UNK-6c2be958-1
0.590
JOH-UNI-50ce7ec3-2
0.588
PET-UNK-12d8d43f-2
0.581
DAR-DIA-56cf811e-1
0.581
DAR-DIA-56cf811e-3
0.578
DAR-DIA-076fb6ea-6
0.576
DAR-DIA-076fb6ea-15
0.575
JOH-UNI-50ce7ec3-1
0.568
DAR-DIA-076fb6ea-1
0.563
VLA-UCB-05e51b3f-16
0.563
JOH-UNI-a38a7bdd-1
0.563
JOH-UNI-a38a7bdd-2
0.563
DAR-DIA-076fb6ea-8
0.562
NAU-LAT-4ce8bf23-2
0.551
JOH-UNI-a38a7bdd-5
0.533
JOH-UNI-a38a7bdd-6
0.532
ALP-UNI-44c99a80-1
0.527
DAR-DIA-56cf811e-5
0.527
DAR-DIA-076fb6ea-3
0.526
ALP-UNI-44c99a80-4
0.521
DAR-DIA-076fb6ea-11
0.510
DAR-DIA-076fb6ea-12
0.500
JOH-UNI-3fc3434e-9
0.473
JOH-UNI-ee5ed7c8-9
0.473
ADA-UCB-6c2cb422-1
0.465
DAR-DIA-5ff57136-10
0.462
JOH-UNI-ee5ed7c8-8
0.456
JOH-UNI-3fc3434e-8
0.456
MIC-UNK-67d4a29a-1
0.444
DAR-DIA-6a49afbe-1
0.443
MIC-UNK-67d4a29a-3
0.435
JOH-UNI-3fc3434e-7
0.433
JOH-UNI-ee5ed7c8-7
0.433
JOH-UNI-3fc3434e-5
0.433
JOH-UNI-ee5ed7c8-5
0.433
JOH-UNI-3fc3434e-13
0.421
JOH-UNI-ee5ed7c8-13
0.421
MIC-UNK-67d4a29a-2
0.415
JOH-UNI-ee5ed7c8-10
0.414
JOH-UNI-3fc3434e-10
0.414
ALF-EVA-a24cc7ce-7
0.411
MIC-UNK-67d4a29a-4
0.411
JOH-UNI-6fede743-4
0.407
MAT-POS-e69ad64a-3
0.406
PET-UNK-bbe8d7ff-2
0.402
RUB-POS-1325a9ea-18
0.402
JOH-UNI-6fede743-2
0.398
MAT-POS-c20a539d-5
0.396
PET-UNK-6314f867-2
0.396
ALP-POS-76eab5ce-2
0.396
MAT-POS-3cc264b0-1
0.391
EDJ-MED-50fe53e8-1
0.391
PET-UNK-064639eb-1
0.390
PET-UNK-064639eb-3
0.390
PET-UNK-064639eb-4
0.390
PET-UNK-064639eb-6
0.390
PET-UNK-e8c7a26f-1
0.389
PET-UNK-6314f867-3
0.389
PET-UNK-064639eb-2
0.389
PET-UNK-064639eb-5
0.389
ALP-POS-75715966-2
0.388
ALP-POS-f13221e1-3
0.387
JIN-POS-6dc588a4-24
0.387
EDJ-MED-c5ca5386-1
0.387
PET-UNK-f860268d-1
0.384
PET-UNK-f860268d-4
0.384
EDG-MED-0da5ad92-1
0.382
JAN-GHE-83b26c96-15
0.382
JOH-UNI-50ce7ec3-4
0.381
MAT-POS-90fd5f68-25
0.381
PET-UNK-d899bab6-1
0.381
MAT-POS-90fd5f68-20
0.378
JOH-UNI-3fc3434e-11
0.378
JOH-UNI-ee5ed7c8-11
0.378
DAR-DIA-076fb6ea-10
0.377
PET-UNK-f860268d-3
0.377
PET-UNK-f860268d-6
0.377
MAT-POS-90fd5f68-37
0.375
MAT-POS-6c284e65-1
0.374
MAT-POS-f7918075-5
0.372
MAT-POS-90fd5f68-19
0.371
MAT-POS-90fd5f68-21
0.370
JOH-UNI-ee5ed7c8-6
0.370
JOH-UNI-3fc3434e-6
0.370
MIC-UNK-7574fcc6-1
0.368
JIN-POS-6dc588a4-11
0.368
ALP-POS-b3306dea-1
0.368
ALP-POS-76eab5ce-1
0.366
MAT-POS-bb423b95-1
0.366
EDJ-MED-6ab52e52-1
0.366
MIC-UNK-50cce87d-2
0.366
JOH-UNI-ee5ed7c8-2
0.365
JOH-UNI-3fc3434e-2
0.365