Molecular Properties | |
SMILES: | O=CN(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 324.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
Filter38_aldehyde
aldehyde
formate_formide
MAT-POS-bb423b95-7
0.694
PET-UNK-6c2be958-1
0.676
VLA-UCB-05e51b3f-15
0.676
VLA-UCB-05e51b3f-16
0.662
DAR-DIA-076fb6ea-1
0.662
VLA-UCB-05e51b3f-17
0.653
DAR-DIA-56cf811e-1
0.641
PET-UNK-5ecb6237-1
0.636
JOH-UNI-50ce7ec3-2
0.628
JOH-UNI-50ce7ec3-1
0.625
PET-UNK-a692de38-1
0.620
JOH-UNI-a38a7bdd-1
0.620
PET-UNK-12d8d43f-2
0.620
JOH-UNI-a38a7bdd-2
0.620
DAR-DIA-076fb6ea-8
0.617
DAR-DIA-56cf811e-3
0.614
DAR-DIA-56cf811e-5
0.614
DAR-DIA-076fb6ea-15
0.613
NAU-LAT-4ce8bf23-2
0.605
DAR-DIA-076fb6ea-5
0.590
JOH-UNI-a38a7bdd-5
0.583
ALP-UNI-44c99a80-1
0.576
DAR-DIA-076fb6ea-11
0.575
DAR-DIA-076fb6ea-3
0.575
ALP-UNI-44c99a80-4
0.570
JOH-UNI-a38a7bdd-6
0.563
DAR-DIA-076fb6ea-12
0.526
DAR-DIA-076fb6ea-9
0.516
ADA-UCB-6c2cb422-1
0.494
DAR-DIA-6a49afbe-1
0.487
MIC-UNK-67d4a29a-1
0.470
MAK-UNK-c749d764-28
0.466
MAT-POS-e69ad64a-3
0.460
JOH-UNI-ee5ed7c8-13
0.460
JOH-UNI-3fc3434e-13
0.460
MIC-UNK-67d4a29a-3
0.459
PET-UNK-e8c7a26f-1
0.459
MIC-UNK-67d4a29a-2
0.453
ALF-EVA-a24cc7ce-7
0.451
JOH-UNI-3fc3434e-9
0.449
JOH-UNI-ee5ed7c8-9
0.449
MIC-UNK-67d4a29a-4
0.448
JOH-UNI-3fc3434e-7
0.440
JOH-UNI-ee5ed7c8-7
0.440
JOH-UNI-3fc3434e-5
0.440
JOH-UNI-ee5ed7c8-5
0.440
JOH-UNI-ee5ed7c8-10
0.435
JOH-UNI-3fc3434e-10
0.435
JOH-UNI-50ce7ec3-4
0.432
JOH-UNI-50ce7ec3-3
0.424
ALP-POS-f13221e1-3
0.424
ALP-POS-75715966-2
0.421
JAN-GHE-83b26c96-15
0.420
EDG-MED-0da5ad92-1
0.420
JOH-UNI-6fede743-2
0.419
ALP-POS-76eab5ce-2
0.417
ALP-POS-b3306dea-1
0.412
EDJ-MED-50fe53e8-1
0.412
MAT-POS-3cc264b0-1
0.412
JOH-UNI-6fede743-4
0.412
PET-UNK-e8c7a26f-2
0.410
RUB-POS-1325a9ea-18
0.407
PET-UNK-bbe8d7ff-1
0.407
MAT-POS-6c284e65-1
0.404
DAR-DIA-076fb6ea-2
0.402
DAR-DIA-6a49afbe-4
0.402
JOH-UNI-3fc3434e-8
0.398
JOH-UNI-ee5ed7c8-8
0.398
VLA-UNK-5c5a631c-3
0.392
MAT-POS-6c284e65-2
0.392
ALP-POS-c3a96089-4
0.392
MAT-POS-f7918075-5
0.391
VLA-UCB-05e51b3f-9
0.390
VLA-UCB-50c39ae8-6
0.390
MAT-POS-90fd5f68-19
0.389
ALP-POS-c3a96089-3
0.388
PET-UNK-d899bab6-1
0.385
MAT-POS-90fd5f68-25
0.385
VLA-UNK-5c5a631c-2
0.385
DAR-DIA-076fb6ea-7
0.385
NIR-THE-47736cde-1
0.384
MAT-POS-e69ad64a-2
0.384
NIR-THE-47736cde-2
0.384
ALP-POS-76eab5ce-1
0.384
MAT-POS-90fd5f68-40
0.382
RUB-POS-1325a9ea-4
0.382
JOH-UNI-3fc3434e-11
0.380
DAR-DIA-0f7b7cd9-5
0.380
JOH-UNI-ee5ed7c8-11
0.380
PET-UNK-8922bd3c-1
0.379
ALF-EVA-a24cc7ce-2
0.379
DAR-DIA-6a49afbe-5
0.379
VLA-UNK-9a7dc93f-7
0.378
MAT-POS-90fd5f68-37
0.378
NAU-LAT-a5c7d7cb-4
0.378
EDJ-MED-c5ca5386-1
0.375
PET-UNK-bbe8d7ff-2
0.375
JOH-UNI-6fede743-1
0.375
BAR-COM-ebf5acce-3
0.374
EDJ-MED-00c1612e-1
0.374