Molecular Properties | |
SMILES: | C=C=CC(=O)N(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 362.08 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 4.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Cumulated double bonds
allene
Allene
DAR-DIA-5ff57136-1
DAR-DIA-076fb6ea-1
0.800
VLA-UCB-05e51b3f-16
0.800
DAR-DIA-56cf811e-3
0.741
DAR-DIA-56cf811e-5
0.720
DAR-DIA-076fb6ea-11
0.714
VLA-UCB-05e51b3f-15
0.701
PET-UNK-6c2be958-1
0.701
VLA-UCB-05e51b3f-17
0.701
DAR-DIA-076fb6ea-3
0.694
DAR-DIA-56cf811e-1
0.688
JOH-UNI-a38a7bdd-1
0.667
PET-UNK-12d8d43f-2
0.667
DAR-DIA-076fb6ea-12
0.652
JOH-UNI-a38a7bdd-5
0.628
PET-UNK-12d8d43f-1
0.617
MAT-POS-bb423b95-7
0.613
JOH-UNI-a38a7bdd-6
0.607
PET-UNK-5ecb6237-1
0.602
JOH-UNI-50ce7ec3-1
0.593
PET-UNK-a692de38-1
0.588
DAR-DIA-076fb6ea-7
0.583
DAR-DIA-076fb6ea-15
0.581
MAT-POS-e69ad64a-3
0.576
JOH-UNI-50ce7ec3-2
0.576
JOH-UNI-a38a7bdd-2
0.570
DAR-DIA-076fb6ea-5
0.562
PET-UNK-e8c7a26f-1
0.560
NAU-LAT-4ce8bf23-2
0.557
ALP-UNI-44c99a80-1
0.549
ALP-UNI-44c99a80-4
0.543
DAR-DIA-076fb6ea-9
0.510
DAR-DIA-5ff57136-11
0.456
ADA-UCB-6c2cb422-1
0.453
MIC-UNK-67d4a29a-1
0.449
DAR-DIA-076fb6ea-2
0.449
MIC-UNK-67d4a29a-2
0.435
DAR-DIA-6a49afbe-1
0.432
DAR-DIA-56cf811e-4
0.432
MIC-UNK-67d4a29a-4
0.430
JOH-UNI-ee5ed7c8-13
0.426
JOH-UNI-3fc3434e-13
0.426
PET-UNK-e8c7a26f-2
0.425
MIC-UNK-67d4a29a-3
0.424
JOH-UNI-3fc3434e-5
0.423
JOH-UNI-ee5ed7c8-5
0.423
DAR-DIA-56cf811e-6
0.417
JOH-UNI-3fc3434e-9
0.417
JOH-UNI-ee5ed7c8-9
0.417
DAR-DIA-076fb6ea-13
0.412
JOH-UNI-ee5ed7c8-7
0.408
JOH-UNI-3fc3434e-7
0.408
ALP-POS-76eab5ce-2
0.400
ALF-EVA-a24cc7ce-7
0.400
DAR-DIA-076fb6ea-4
0.398
JOH-UNI-ee5ed7c8-10
0.390
JOH-UNI-3fc3434e-10
0.390
DAR-DIA-56cf811e-2
0.387
DAR-DIA-076fb6ea-14
0.387
MAT-POS-e69ad64a-1
0.387
NIR-THE-47736cde-2
0.385
ALP-POS-b3306dea-1
0.385
MAT-POS-e69ad64a-2
0.385
DAR-DIA-5ff57136-5
0.385
DAR-DIA-5ff57136-7
0.385
NIR-THE-47736cde-1
0.385
JOH-UNI-ee5ed7c8-8
0.383
JOH-UNI-3fc3434e-8
0.383
VLA-UNK-82501c2c-3
0.381
EDJ-MED-50fe53e8-1
0.380
MAT-POS-3cc264b0-1
0.380
JOH-UNI-6fede743-4
0.380
JOH-UNI-50ce7ec3-3
0.380
DAR-DIA-5ff57136-2
0.380
DAR-DIA-5ff57136-1
0.380
ALP-POS-75715966-2
0.379
VLA-UCB-05e51b3f-9
0.377
MAT-POS-6c284e65-1
0.377
VLA-UCB-50c39ae8-6
0.377
ALP-POS-f13221e1-3
0.376
RUB-POS-1325a9ea-18
0.376
ALP-POS-c3a96089-3
0.376
JAN-GHE-d851b096-1
0.375
VLA-UCB-05e51b3f-10
0.374
VLA-UCB-50c39ae8-7
0.374
MAT-POS-090737b9-1
0.374
JOH-UNI-6fede743-2
0.372
JOH-UNI-a38a7bdd-3
0.372
PET-UNK-6314f867-2
0.371
JOH-UNI-50ce7ec3-4
0.371
MAT-POS-c20a539d-5
0.371
JAN-GHE-83b26c96-15
0.371
EDG-MED-0da5ad92-1
0.371
EDJ-MED-6ab52e52-1
0.370
MIC-UNK-50cce87d-2
0.370
NIR-THE-2069301b-1
0.368
VLA-UNK-5c5a631c-3
0.367
DAR-DIA-6a49afbe-4
0.362
MAT-POS-f7918075-5
0.362
PET-UNK-bbe8d7ff-1
0.362
PET-UNK-bbe8d7ff-2
0.362