Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)Cc1cccc(Cl)c1)c1cccnc1 |
MW: | 300.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 3.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
DAR-DIA-076fb6ea-2
0.620
TRY-UNI-69298daf-5
0.577
JAN-GHE-83b26c96-16
0.557
DAR-DIA-076fb6ea-1
0.532
VLA-UCB-05e51b3f-16
0.532
JAN-GHE-d851b096-1
0.494
DAR-DIA-076fb6ea-7
0.487
DAR-DIA-56cf811e-2
0.474
DAR-DIA-56cf811e-6
0.470
PET-UNK-bbe8d7ff-1
0.462
EDG-MED-0da5ad92-1
0.459
JAN-GHE-83b26c96-15
0.459
EDG-MED-0da5ad92-2
0.457
JOH-UNI-a38a7bdd-3
0.456
DAR-DIA-56cf811e-4
0.452
DAR-DIA-076fb6ea-4
0.447
DAR-DIA-076fb6ea-13
0.447
TRY-UNI-69298daf-6
0.444
DAR-DIA-076fb6ea-16
0.438
PET-UNK-6c2be958-1
0.427
VLA-UCB-05e51b3f-15
0.427
DAR-DIA-076fb6ea-8
0.425
PET-UNK-bbe8d7ff-2
0.425
TRY-UNI-69298daf-3
0.424
BAR-COM-ebf5acce-3
0.422
JOH-UNI-a38a7bdd-4
0.420
BAR-COM-ebf5acce-15
0.417
JOH-UNI-a38a7bdd-9
0.412
DAR-DIA-56cf811e-5
0.411
VLA-UCB-05e51b3f-3
0.411
VLA-UCB-05e51b3f-17
0.410
PET-UNK-12d8d43f-1
0.410
JOH-UNI-a38a7bdd-7
0.409
DAR-DIA-56cf811e-1
0.407
BAR-COM-ebf5acce-2
0.407
ALP-POS-95b75b4d-8
0.405
SAM-UNK-2684b532-13
0.405
BAR-COM-ebf5acce-1
0.405
BAR-COM-ebf5acce-4
0.402
DAR-DIA-076fb6ea-6
0.400
DAR-DIA-076fb6ea-14
0.400
JOH-UNI-50ce7ec3-1
0.398
JAN-GHE-5a013bed-8
0.397
DAR-DIA-56cf811e-3
0.396
BAR-COM-ebf5acce-6
0.395
BAR-COM-ebf5acce-9
0.395
BAR-COM-ebf5acce-14
0.393
JOH-UNI-a38a7bdd-8
0.393
JOH-UNI-a38a7bdd-1
0.391
PET-UNK-12d8d43f-2
0.391
BAR-COM-ebf5acce-5
0.389
BAR-COM-ebf5acce-10
0.386
MIC-UNK-67d4a29a-1
0.386
MAT-POS-bb423b95-7
0.386
ANN-UNI-98d2bf15-3
0.385
JOH-UNI-abfda500-4
0.385
JOH-UNI-abfda500-5
0.385
DAR-DIA-076fb6ea-11
0.383
DAR-DIA-076fb6ea-3
0.383
ALP-POS-95b75b4d-5
0.383
MAT-POS-bb423b95-4
0.383
ALP-POS-95b75b4d-6
0.382
MAK-UNK-6ca90168-23
0.380
AGN-NEW-c7b24fe3-1
0.380
JIN-POS-6dc588a4-6
0.378
NIM-NMI-8bb27a2b-27
0.378
TRY-UNI-714a760b-6
0.377
MIC-UNK-67d4a29a-3
0.376
JIN-POS-6dc588a4-3
0.375
JAN-GHE-d851b096-8
0.375
PET-UNK-a692de38-1
0.375
JAN-GHE-d851b096-3
0.374
BAR-COM-ebf5acce-13
0.374
BAR-COM-ebf5acce-8
0.374
SAD-SAT-b55127ae-1
0.373
MIC-UNK-67d4a29a-2
0.372
DAR-DIA-076fb6ea-15
0.371
JOH-UNI-50ce7ec3-5
0.371
JAN-GHE-5a013bed-9
0.370
JOH-UNI-a38a7bdd-5
0.370
BAR-COM-ebf5acce-7
0.370
BAR-COM-ebf5acce-12
0.370
EDJ-MED-a364e151-2
0.369
PET-UNK-8df914d1-4
0.368
PET-UNK-5ecb6237-1
0.368
MIC-UNK-67d4a29a-4
0.368
TRY-UNI-714a760b-3
0.367
NIM-NMI-8bb27a2b-14
0.366
MAT-POS-bb423b95-1
0.366
BAR-COM-ebf5acce-11
0.366
JOH-UNI-3fc3434e-13
0.364
JOH-UNI-50ce7ec3-2
0.364
JOH-UNI-ee5ed7c8-13
0.364
VLA-UNK-82501c2c-3
0.364
JOH-UNI-3fc3434e-5
0.363
JOH-UNI-50ce7ec3-3
0.363
JOH-UNI-ee5ed7c8-5
0.363
JAN-GHE-d851b096-9
0.363
TRY-UNI-69298daf-1
0.362
EDJ-MED-a364e151-3
0.361