Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N(C#CC1CCCN1)c1cncc2ccccc12 |
MW: | 389.13 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
enamine
triple bond
DAR-DIA-5ff57136-1
DAR-DIA-076fb6ea-5
0.652
DAR-DIA-076fb6ea-10
0.629
PET-UNK-5ecb6237-1
0.622
VLA-UCB-05e51b3f-17
0.548
MAT-POS-bb423b95-7
0.543
DAR-DIA-5ff57136-12
0.536
VLA-UCB-05e51b3f-15
0.532
PET-UNK-6c2be958-1
0.532
JOH-UNI-50ce7ec3-2
0.531
DAR-DIA-56cf811e-1
0.526
PET-UNK-12d8d43f-2
0.526
PET-UNK-a692de38-1
0.526
PET-UNK-12d8d43f-1
0.516
JOH-UNI-a38a7bdd-5
0.515
VLA-UCB-05e51b3f-16
0.510
DAR-DIA-076fb6ea-1
0.510
JOH-UNI-a38a7bdd-1
0.510
DAR-DIA-076fb6ea-8
0.510
ALP-UNI-44c99a80-1
0.510
DAR-DIA-076fb6ea-15
0.505
JOH-UNI-a38a7bdd-6
0.500
JOH-UNI-50ce7ec3-1
0.500
DAR-DIA-56cf811e-3
0.495
JOH-UNI-a38a7bdd-2
0.495
NAU-LAT-4ce8bf23-2
0.485
DAR-DIA-076fb6ea-11
0.481
DAR-DIA-076fb6ea-3
0.481
DAR-DIA-56cf811e-5
0.481
ALP-UNI-44c99a80-4
0.476
DAR-DIA-076fb6ea-12
0.473
ADA-UCB-6c2cb422-1
0.408
DAR-DIA-6a49afbe-1
0.404
MIC-UNK-67d4a29a-1
0.392
JOH-UNI-3fc3434e-13
0.387
JOH-UNI-ee5ed7c8-13
0.387
JOH-UNI-3fc3434e-10
0.382
JOH-UNI-ee5ed7c8-10
0.382
MIC-UNK-67d4a29a-2
0.381
JOH-UNI-3fc3434e-9
0.380
JOH-UNI-ee5ed7c8-9
0.380
DAR-DIA-076fb6ea-6
0.377
JOH-UNI-3fc3434e-8
0.375
JOH-UNI-ee5ed7c8-8
0.375
MAT-POS-e69ad64a-3
0.374
JOH-UNI-ee5ed7c8-5
0.373
JOH-UNI-ee5ed7c8-7
0.373
JOH-UNI-3fc3434e-7
0.373
JOH-UNI-3fc3434e-5
0.373
MIC-UNK-67d4a29a-3
0.371
RUB-POS-1325a9ea-18
0.369
DAR-DIA-6a49afbe-4
0.368
MIC-UNK-67d4a29a-4
0.364
JOH-UNI-50ce7ec3-4
0.364
PET-UNK-064639eb-6
0.362
PET-UNK-064639eb-1
0.362
PET-UNK-064639eb-4
0.362
PET-UNK-064639eb-3
0.362
JOH-UNI-3fc3434e-11
0.361
JOH-UNI-ee5ed7c8-11
0.361
ALP-POS-75715966-2
0.360
JOH-UNI-6fede743-4
0.359
MAT-POS-6c284e65-1
0.359
PET-UNK-e8c7a26f-1
0.358
ALP-POS-f13221e1-3
0.356
DAR-DIA-5ff57136-10
0.355
MAT-POS-90fd5f68-26
0.354
ALP-POS-b3306dea-1
0.353
JOH-UNI-6fede743-2
0.352
MAT-POS-6c284e65-2
0.350
JAN-GHE-83b26c96-15
0.350
EDG-MED-0da5ad92-1
0.350
ALP-POS-c3a96089-4
0.350
PET-UNK-064639eb-2
0.350
PET-UNK-064639eb-5
0.350
ALP-POS-76eab5ce-2
0.350
ALF-EVA-a24cc7ce-7
0.350
MAT-POS-173a45da-1
0.348
VLA-UCB-05e51b3f-9
0.347
VLA-UCB-50c39ae8-6
0.347
PET-UNK-f860268d-1
0.347
PET-UNK-f860268d-4
0.347
MAT-POS-3cc264b0-1
0.346
EDJ-MED-50fe53e8-1
0.346
NIR-THE-af15c15d-1
0.345
MAT-POS-90fd5f68-21
0.342
MIC-UNK-bcd487e9-3
0.342
PET-UNK-f860268d-3
0.341
PET-UNK-f860268d-6
0.341
MAT-POS-90fd5f68-25
0.339
PET-UNK-d899bab6-1
0.339
RUB-POS-1325a9ea-4
0.336
JOH-UNI-50ce7ec3-3
0.336
MIC-UNK-bcd487e9-2
0.336
JOH-UNI-3fc3434e-12
0.336
JOH-UNI-ee5ed7c8-12
0.336
ALP-POS-c3a96089-3
0.336
PET-UNK-cf04cb02-1
0.333
MAT-POS-90fd5f68-37
0.333
MAT-POS-e69ad64a-1
0.333
JOH-UNI-21fd6073-3
0.333