Molecular Properties | |
SMILES: | O=C(NNc1nc2ccccc2s1)c1cc(=O)[nH]c2ccccc12 |
MW: | 336.07 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 86.88 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
acyl hydrazine
Hetero_hetero
hydrazine
aminothiazole
ALP-UNI-ed5cdfd2-4
0.560
ALP-UNI-ed5cdfd2-5
0.535
ALP-UNI-ed5cdfd2-6
0.489
ALP-UNI-ed5cdfd2-7
0.455
ALP-UNI-ed5cdfd2-2
0.451
ALP-UNI-ed5cdfd2-3
0.426
ALP-UNI-ed5cdfd2-1
0.421
BEN-DND-7e92b6ca-5
0.409
BEN-DND-7e92b6ca-4
0.398
DAR-DIA-8e329c92-9
0.387
BEN-DND-7e92b6ca-3
0.376
NAU-LAT-56d5284e-7
0.375
DAR-DIA-8e329c92-11
0.374
WIL-UNI-d4749f31-37
0.366
KRI-MAR-d2e3ef86-12
0.365
MAT-POS-916a2c5a-2
0.365
KRI-MAR-d2e3ef86-15
0.361
NAU-LAT-a5c7d7cb-7
0.361
MAR-UCB-f313ec4d-4
0.361
MAT-UCB-70f7c0f7-4
0.357
DAR-DIA-8e329c92-10
0.357
MAT-POS-54c4bf04-1
0.357
WIL-UNI-d4749f31-21
0.354
ADA-UCB-b1b30a00-1
0.354
NAU-LAT-56d5284e-6
0.350
DAR-DIA-8e329c92-6
0.350
NAU-LAT-56d5284e-4
0.350
ALP-POS-bea7b391-1
0.350
DAR-DIA-8e329c92-4
0.347
DAR-DIA-8e329c92-5
0.346
ALP-POS-3fc1724e-1
0.343
ALP-POS-05819dc4-1
0.343
MAT-UCB-70f7c0f7-3
0.340
ADA-UCB-b1b30a00-2
0.340
DAR-DIA-53551c05-22
0.333
DAR-DIA-8e329c92-7
0.333
ERI-UCB-ce40166b-16
0.333
BEN-DND-7e92b6ca-6
0.330
MAT-UCB-70f7c0f7-1
0.327
DAR-DIA-8e329c92-12
0.327
NAU-LAT-56d5284e-8
0.327
ERI-UCB-ce40166b-13
0.324
ERI-UCB-ce40166b-15
0.324
NAU-LAT-56d5284e-1
0.323
KRI-MAR-d2e3ef86-5
0.323
BEN-DND-7e92b6ca-10
0.323
ERI-UCB-ce40166b-20
0.321
ERI-UCB-ce40166b-14
0.321
EDJ-MED-78f964c8-1
0.319
MAT-POS-916a2c5a-4
0.319
DAR-DIA-8e329c92-8
0.319
ERI-UCB-ce40166b-17
0.318
ALP-POS-3fc1724e-2
0.318
ALP-POS-3fc1724e-3
0.317
ERI-UCB-a0b0dbcb-12
0.314
DAR-DIA-53551c05-20
0.313
ERI-UCB-a0b0dbcb-2
0.313
MAT-UCB-70f7c0f7-2
0.312
ALP-POS-ddb41b15-1
0.312
BEN-DND-7e92b6ca-14
0.312
ERI-UCB-ce40166b-19
0.312
KRI-MAR-d2e3ef86-6
0.311
BEN-DND-7e92b6ca-11
0.310
KRI-MAR-d2e3ef86-13
0.310
BEN-DND-7e92b6ca-15
0.310
ERI-UCB-ce40166b-18
0.310
BEN-DND-7e92b6ca-16
0.309
ERI-UCB-a0b0dbcb-8
0.308
NAU-LAT-56d5284e-3
0.308
BEN-DND-7e92b6ca-9
0.307
NAU-LAT-56d5284e-2
0.307
NAU-LAT-56d5284e-5
0.307
VLA-UCB-eb340134-4
0.304
BEN-DND-7e92b6ca-7
0.303
JAN-GHE-82a280f8-3
0.302
DAR-DIA-8e329c92-13
0.302
KRI-MAR-d2e3ef86-4
0.301
MAT-POS-916a2c5a-3
0.301
ERI-UCB-d6de1f3c-1
0.301
MAK-UNK-df1a028e-3
0.300
DAR-DIA-53551c05-17
0.299
ERI-UCB-a0b0dbcb-14
0.298
JAN-GHE-82a280f8-1
0.298
ALP-POS-ddb41b15-3
0.297
BEN-DND-7e92b6ca-13
0.297
ERI-UCB-a0b0dbcb-9
0.297
BEN-DND-7e92b6ca-2
0.297
VLA-UCB-eb340134-1
0.295
ALP-POS-3fc1724e-4
0.295
KRI-MAR-d2e3ef86-7
0.294
ERI-UCB-a0b0dbcb-5
0.294
LON-WEI-5e7d1b3e-30
0.292
LON-WEI-4d77710c-30
0.292
MAT-POS-54c4bf04-4
0.292
MAR-UCB-f313ec4d-5
0.291
BEN-DND-7e92b6ca-12
0.291
ERI-UCB-a0b0dbcb-3
0.291
JAN-GHE-82a280f8-2
0.290
VLA-UCB-eb340134-3
0.290
ERI-UCB-a0b0dbcb-11
0.290