Molecular Properties | |
SMILES: | Cc1ccncc1N(C(=O)/C=C/CN(C)C)C(=O)Cc1cccc(Cl)c1 |
MW: | 371.14 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 53.51 |
cLogP: | 3.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Activated double bonds (2)
vinyl michael acceptor1
DAR-DIA-5ff57136-1
DAR-DIA-56cf811e-4
0.731
DAR-DIA-076fb6ea-4
0.722
DAR-DIA-56cf811e-6
0.709
DAR-DIA-076fb6ea-2
0.707
DAR-DIA-076fb6ea-7
0.692
DAR-DIA-076fb6ea-14
0.678
JAN-GHE-83b26c96-15
0.613
EDG-MED-0da5ad92-1
0.613
DAR-DIA-076fb6ea-11
0.607
JOH-UNI-a38a7bdd-3
0.600
DAR-DIA-56cf811e-2
0.600
PET-UNK-bbe8d7ff-1
0.568
JAN-GHE-d851b096-1
0.541
JOH-UNI-a38a7bdd-7
0.539
PET-UNK-bbe8d7ff-2
0.530
JOH-UNI-a38a7bdd-4
0.524
DAR-DIA-076fb6ea-16
0.524
BAR-COM-ebf5acce-1
0.523
VLA-UCB-05e51b3f-3
0.522
BAR-COM-ebf5acce-3
0.506
BAR-COM-ebf5acce-2
0.506
DAR-DIA-076fb6ea-6
0.500
BAR-COM-ebf5acce-15
0.500
JOH-UNI-a38a7bdd-9
0.494
BAR-COM-ebf5acce-6
0.494
BAR-COM-ebf5acce-9
0.494
BAR-COM-ebf5acce-14
0.489
BAR-COM-ebf5acce-10
0.484
BAR-COM-ebf5acce-4
0.484
JOH-UNI-a38a7bdd-8
0.473
BAR-COM-ebf5acce-5
0.468
BAR-COM-ebf5acce-13
0.468
BAR-COM-ebf5acce-8
0.468
BAR-COM-ebf5acce-7
0.463
BAR-COM-ebf5acce-12
0.463
BAR-COM-ebf5acce-11
0.458
DAR-DIA-076fb6ea-10
0.455
TRY-UNI-69298daf-1
0.454
PET-UNK-e8c7a26f-2
0.447
DAR-DIA-076fb6ea-3
0.430
DAR-DIA-56cf811e-3
0.429
TRY-UNI-714a760b-6
0.417
DAR-DIA-56cf811e-5
0.414
DAR-DIA-076fb6ea-8
0.412
DAR-DIA-076fb6ea-12
0.411
DAR-DIA-076fb6ea-1
0.411
VLA-UCB-05e51b3f-16
0.411
MIC-UNK-67d4a29a-3
0.398
JAN-GHE-83b26c96-16
0.386
EDG-MED-0da5ad92-6
0.384
VLA-UCB-05e51b3f-17
0.383
PET-UNK-12d8d43f-2
0.381
MAT-POS-bb423b95-7
0.376
MIC-UNK-67d4a29a-1
0.376
VLA-UCB-05e51b3f-15
0.368
PET-UNK-6c2be958-1
0.368
PET-UNK-8df914d1-3
0.368
MIC-UNK-67d4a29a-2
0.365
JOH-UNI-50ce7ec3-5
0.364
MIC-UNK-67d4a29a-4
0.361
SAM-UNK-2684b532-13
0.360
ALP-POS-95b75b4d-8
0.360
JOH-UNI-ee5ed7c8-13
0.357
JOH-UNI-3fc3434e-13
0.357
PET-UNK-12d8d43f-1
0.354
JOH-UNI-50ce7ec3-6
0.354
JOH-UNI-a38a7bdd-1
0.354
ALP-POS-75715966-4
0.354
DAR-DIA-56cf811e-1
0.354
EDG-MED-0da5ad92-15
0.352
PET-UNK-f92d7c0c-3
0.352
ALP-POS-f13221e1-4
0.352
JIN-POS-6dc588a4-3
0.352
TRY-UNI-69298daf-2
0.349
EDG-MED-0da5ad92-18
0.348
JOH-UNI-50ce7ec3-1
0.347
EDJ-MED-49816e9b-2
0.345
ALP-POS-95b75b4d-5
0.344
MAT-POS-bb423b95-4
0.344
JOH-UNI-3fc3434e-5
0.343
JOH-UNI-ee5ed7c8-5
0.343
EDG-MED-0da5ad92-12
0.341
ALP-POS-95b75b4d-6
0.341
PET-UNK-f92d7c0c-7
0.341
MAK-UNK-6ca90168-23
0.341
PET-UNK-a692de38-1
0.340
EDG-MED-0da5ad92-2
0.337
JAN-GHE-5a013bed-8
0.337
RUB-POS-1325a9ea-19
0.337
MAT-POS-bb423b95-5
0.337
EDJ-MED-6e43a462-6
0.337
JOH-UNI-a38a7bdd-5
0.337
PET-UNK-5ecb6237-1
0.333
DAR-DIA-48c639f7-12
0.333
JOH-UNI-ee5ed7c8-12
0.330
JOH-UNI-3fc3434e-12
0.330
JOH-UNI-50ce7ec3-2
0.330
EDJ-MED-b24713dc-4
0.330
TRY-UNI-714a760b-3
0.330
JOH-UNI-abfda500-5
0.330