Molecular Properties | |
SMILES: | C=CC(=O)NN(C(=O)Cc1cccc(Cl)c1)c1cnccc1C |
MW: | 329.787 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 2.83632 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
acyl hydrazine
Hetero_hetero
DAR-DIA-076fb6ea-2
0.662
EDG-MED-0da5ad92-1
0.634
JAN-GHE-83b26c96-15
0.634
DAR-DIA-076fb6ea-7
0.588
PET-UNK-bbe8d7ff-1
0.584
JOH-UNI-a38a7bdd-3
0.577
DAR-DIA-56cf811e-2
0.577
DAR-DIA-56cf811e-4
0.566
DAR-DIA-56cf811e-6
0.566
PET-UNK-bbe8d7ff-2
0.564
DAR-DIA-076fb6ea-4
0.560
JOH-UNI-a38a7bdd-4
0.557
DAR-DIA-076fb6ea-16
0.557
DAR-DIA-076fb6ea-6
0.549
BAR-COM-ebf5acce-9
0.542
DAR-DIA-076fb6ea-13
0.541
BAR-COM-ebf5acce-1
0.537
BAR-COM-ebf5acce-3
0.537
JOH-UNI-a38a7bdd-7
0.535
BAR-COM-ebf5acce-15
0.530
JOH-UNI-a38a7bdd-9
0.524
BAR-COM-ebf5acce-6
0.524
BAR-COM-ebf5acce-2
0.518
VLA-UCB-05e51b3f-3
0.517
BAR-COM-ebf5acce-10
0.512
BAR-COM-ebf5acce-4
0.512
BAR-COM-ebf5acce-5
0.511
BAR-COM-ebf5acce-12
0.506
BAR-COM-ebf5acce-7
0.506
BAR-COM-ebf5acce-11
0.500
BAR-COM-ebf5acce-14
0.500
DAR-DIA-076fb6ea-14
0.500
JOH-UNI-a38a7bdd-8
0.500
BAR-COM-ebf5acce-8
0.494
BAR-COM-ebf5acce-13
0.494
PET-UNK-e8c7a26f-2
0.494
DAR-DIA-076fb6ea-10
0.479
TRY-UNI-714a760b-6
0.462
MIC-UNK-67d4a29a-3
0.437
JAN-GHE-83b26c96-16
0.427
EDG-MED-0da5ad92-6
0.425
DAR-DIA-076fb6ea-1
0.418
VLA-UCB-05e51b3f-16
0.418
JOH-UNI-50ce7ec3-5
0.413
PET-UNK-8df914d1-3
0.407
PET-UNK-12d8d43f-2
0.402
PET-UNK-a692de38-1
0.402
TRY-UNI-69298daf-1
0.402
SAM-UNK-2684b532-13
0.400
ALP-POS-95b75b4d-8
0.400
MAT-POS-bb423b95-7
0.398
MIC-UNK-67d4a29a-1
0.398
MIC-UNK-67d4a29a-4
0.396
JOH-UNI-50ce7ec3-1
0.394
MAK-UNK-6ca90168-23
0.393
VLA-UCB-05e51b3f-17
0.389
ALP-POS-f13221e1-4
0.388
ALP-POS-75715966-4
0.387
MIC-UNK-67d4a29a-2
0.385
MAT-POS-c0143b99-1
0.385
EDJ-MED-49816e9b-2
0.383
PET-UNK-158bee2a-3
0.383
TRY-UNI-714a760b-3
0.381
ALP-POS-95b75b4d-6
0.378
EDJ-MED-49816e9b-3
0.378
JOH-UNI-3fc3434e-13
0.376
JOH-UNI-ee5ed7c8-13
0.376
EDG-MED-0da5ad92-2
0.375
DAR-DIA-076fb6ea-8
0.375
JAN-GHE-5a013bed-8
0.375
PET-UNK-6c2be958-1
0.374
JOH-UNI-50ce7ec3-6
0.374
PET-UNK-12d8d43f-1
0.374
VLA-UCB-05e51b3f-15
0.374
EDG-MED-0da5ad92-15
0.373
RUB-POS-1325a9ea-19
0.372
JIN-POS-6dc588a4-3
0.372
MAT-POS-bb423b95-5
0.372
EDG-MED-0da5ad92-18
0.369
DAR-DIA-076fb6ea-3
0.366
JAG-UCB-a3ef7265-15
0.366
EDG-MED-0da5ad92-16
0.366
PET-UNK-8df914d1-4
0.366
PET-UNK-5ecb6237-1
0.366
JOH-UNI-abfda500-4
0.365
ANN-UNI-98d2bf15-3
0.365
JOH-UNI-abfda500-5
0.365
MAT-POS-bb423b95-4
0.364
DAR-DIA-56cf811e-3
0.364
DAR-DIA-56cf811e-5
0.364
ALP-POS-95b75b4d-5
0.364
EDG-MED-0da5ad92-12
0.361
JOH-UNI-3fc3434e-5
0.361
JOH-UNI-ee5ed7c8-5
0.361
JOH-UNI-50ce7ec3-3
0.361
AGN-NEW-c7b24fe3-1
0.360
JIN-POS-6dc588a4-6
0.360
MAT-POS-bb423b95-3
0.360
ALP-POS-0c2c77e1-1
0.360
MAT-POS-29385cc1-4
0.359