Molecular Properties | |
SMILES: | N#CN(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 321.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 56.99 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
enamine
Filter86_cyanamide
Aminonitrile
PET-UNK-a692de38-1
PET-UNK-6c2be958-1
PET-UNK-12d8d43f-1
PET-UNK-12d8d43f-2
PET-UNK-9b053684-5
PET-UNK-9b053684-4
PET-UNK-9b053684-2
PET-UNK-9b053684-1
PET-UNK-9b053684-3
PET-UNK-9b053684-6
PET-UNK-064639eb-6
PET-UNK-064639eb-3
PET-UNK-064639eb-2
PET-UNK-064639eb-1
PET-UNK-064639eb-5
PET-UNK-064639eb-4
PET-UNK-f860268d-6
PET-UNK-f860268d-4
PET-UNK-f860268d-3
PET-UNK-f860268d-5
PET-UNK-f860268d-2
PET-UNK-f860268d-1
PET-UNK-b870596d-2
PET-UNK-b870596d-1
DAR-DIA-076fb6ea-5
0.763
PET-UNK-a692de38-1
0.688
VLA-UCB-05e51b3f-17
0.680
MAT-POS-bb423b95-7
0.676
PET-UNK-6c2be958-1
0.636
VLA-UCB-05e51b3f-15
0.636
PET-UNK-12d8d43f-1
0.636
PET-UNK-12d8d43f-2
0.625
DAR-DIA-56cf811e-1
0.625
DAR-DIA-076fb6ea-9
0.622
DAR-DIA-56cf811e-3
0.619
DAR-DIA-076fb6ea-15
0.617
JOH-UNI-50ce7ec3-2
0.613
DAR-DIA-076fb6ea-1
0.605
VLA-UCB-05e51b3f-16
0.605
JOH-UNI-a38a7bdd-1
0.605
JOH-UNI-a38a7bdd-2
0.605
DAR-DIA-076fb6ea-8
0.602
NAU-LAT-4ce8bf23-2
0.590
JOH-UNI-50ce7ec3-1
0.590
JOH-UNI-a38a7bdd-5
0.570
DAR-DIA-56cf811e-5
0.563
ALP-UNI-44c99a80-1
0.563
DAR-DIA-076fb6ea-3
0.562
ALP-UNI-44c99a80-4
0.557
JOH-UNI-a38a7bdd-6
0.551
DAR-DIA-076fb6ea-11
0.544
ADA-UCB-6c2cb422-1
0.500
DAR-DIA-076fb6ea-12
0.500
JOH-UNI-3fc3434e-9
0.489
JOH-UNI-ee5ed7c8-9
0.489
MIC-UNK-67d4a29a-1
0.476
DAR-DIA-6a49afbe-1
0.476
JOH-UNI-ee5ed7c8-8
0.471
JOH-UNI-3fc3434e-8
0.471
JOH-UNI-3fc3434e-7
0.462
JOH-UNI-ee5ed7c8-7
0.462
JOH-UNI-3fc3434e-13
0.449
JOH-UNI-ee5ed7c8-13
0.449
MIC-UNK-67d4a29a-3
0.448
JOH-UNI-ee5ed7c8-5
0.446
JOH-UNI-3fc3434e-5
0.446
PET-UNK-064639eb-1
0.443
PET-UNK-064639eb-3
0.443
PET-UNK-064639eb-6
0.443
PET-UNK-064639eb-4
0.443
MIC-UNK-67d4a29a-2
0.443
PET-UNK-064639eb-2
0.440
PET-UNK-064639eb-5
0.440
MIC-UNK-67d4a29a-4
0.438
DAR-DIA-076fb6ea-6
0.438
MAT-POS-e69ad64a-3
0.433
JOH-UNI-ee5ed7c8-10
0.426
JOH-UNI-3fc3434e-10
0.426
ALP-POS-76eab5ce-2
0.424
ALF-EVA-a24cc7ce-7
0.424
PET-UNK-f860268d-4
0.419
PET-UNK-f860268d-1
0.419
JOH-UNI-6fede743-4
0.419
EDJ-MED-50fe53e8-1
0.419
MAT-POS-3cc264b0-1
0.419
PET-UNK-6314f867-3
0.416
PET-UNK-e8c7a26f-1
0.416
ALP-POS-f13221e1-3
0.414
PET-UNK-bbe8d7ff-2
0.414
JIN-POS-6dc588a4-24
0.414
RUB-POS-1325a9ea-18
0.414
PET-UNK-f860268d-3
0.411
PET-UNK-f860268d-6
0.411
EDG-MED-0da5ad92-1
0.410
JAN-GHE-83b26c96-15
0.410
JOH-UNI-6fede743-2
0.409
MAT-POS-c20a539d-5
0.407
JOH-UNI-50ce7ec3-4
0.407
PET-UNK-6314f867-2
0.407
RUB-POS-1325a9ea-4
0.404
ALP-POS-75715966-2
0.398
MAT-POS-f7918075-5
0.398
EDJ-MED-c5ca5386-1
0.398
PET-UNK-9b053684-1
0.396
PET-UNK-9b053684-4
0.396
PET-UNK-615ad708-3
0.393
PET-UNK-615ad708-6
0.393
PET-UNK-9b053684-6
0.393
PET-UNK-9b053684-3
0.393
PET-UNK-d899bab6-1
0.391
MAT-POS-90fd5f68-25
0.391
MAT-POS-bb423b95-1
0.391
EDJ-MED-6ab52e52-1
0.391
MIC-UNK-50cce87d-2
0.391
ALP-POS-76eab5ce-1
0.391
DAR-DIA-5ff57136-10
0.390
ALP-POS-b3306dea-1
0.390
MAT-POS-90fd5f68-40
0.389
MAK-UNK-6ca90168-23
0.388
JOH-UNI-3fc3434e-11
0.387
JOH-UNI-ee5ed7c8-11
0.387
JOH-UNI-50ce7ec3-3
0.385
MAT-POS-6c284e65-2
0.385
ALP-POS-c3a96089-4
0.385