Molecule Details
| Molecular Properties | |
| SMILES: | CC1=CC(C(F)(F)F)=NC2C1C(N)=NN2C(=O)Cc1cccc(Cl)c1 |
| MW: | 370.08 |
| Fraction sp3: | 0.31 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 71.05 |
| cLogP: | 2.9 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
high halogen content (>3)
ALP-POS-79636100-3
0.435
ALP-POS-902f21bb-1
0.400
ALP-POS-cd485364-1
0.396
MAT-POS-0c8fa4a7-4
0.374
MAT-POS-0c8fa4a7-3
0.371
ALP-POS-6495d03e-7
0.359
MAT-POS-0c8fa4a7-2
0.358
MAT-POS-53907a1c-1
0.358
PET-UNK-f92d7c0c-3
0.341
ALP-POS-cd485364-2
0.337
NAM-UNK-f7c77a48-4
0.333
NAM-UNK-f7c77a48-3
0.333
EDJ-MED-49816e9b-5
0.330
MAT-POS-7174c657-3
0.326
EDG-MED-0da5ad92-18
0.322
JAN-GHE-5a013bed-1
0.322
SAD-SAT-b55127ae-1
0.322
TRY-UNI-714a760b-3
0.319
EDG-MED-0da5ad92-17
0.319
VLA-UNK-411a133b-1
0.318
PET-UNK-158bee2a-3
0.318
EDJ-MED-49816e9b-2
0.318
EDG-MED-0da5ad92-16
0.318
JAG-UCB-a3ef7265-15
0.318
MIC-UNK-13557a72-1
0.315
EDJ-MED-49816e9b-3
0.315
JAN-GHE-5a013bed-5
0.313
MAT-POS-7174c657-2
0.312
SAM-UNK-2684b532-12
0.312
JIN-POS-6dc588a4-4
0.312
EDG-MED-0da5ad92-15
0.311
JOH-UNI-a38a7bdd-3
0.309
JOH-UNI-a38a7bdd-4
0.309
EDJ-MED-b24713dc-2
0.309
JOH-UNI-a38a7bdd-7
0.308
BAR-COM-ebf5acce-9
0.307
EDJ-MED-c8e7a002-5
0.307
VLA-UNK-411a133b-2
0.307
RUB-POS-1325a9ea-23
0.305
ROB-CAM-6936528f-1
0.305
VLA-UCB-1dbca3b4-1
0.305
ALP-POS-90e38439-1
0.305
NAU-LAT-a5c7d7cb-13
0.305
PET-UNK-8df914d1-4
0.303
EDG-MED-0da5ad92-21
0.303
JAG-UCB-a3ef7265-17
0.303
NAU-LAT-e1818702-7
0.303
EDG-MED-0da5ad92-13
0.303
EDJ-MED-c8e7a002-6
0.303
SAM-UNK-2684b532-14
0.302
EDJ-MED-c292668a-1
0.301
PET-UNK-f92d7c0c-7
0.301
BAR-COM-ebf5acce-4
0.301
EDG-MED-0da5ad92-12
0.300
EDG-MED-0da5ad92-14
0.300
PET-UNK-bbe8d7ff-2
0.299
EDJ-MED-c8e7a002-9
0.299
ALP-POS-8b8a49e1-7
0.299
EDJ-MED-239d8ca5-1
0.297
PET-UNK-8df914d1-3
0.297
TRY-UNI-714a760b-6
0.297
DAR-DIA-076fb6ea-16
0.296
EDJ-MED-6e43a462-3
0.296
EDJ-MED-6e43a462-10
0.296
EDJ-MED-b24713dc-1
0.296
EDG-MED-0da5ad92-2
0.295
JOH-UNI-a38a7bdd-8
0.295
JAN-GHE-f4ca5a00-17
0.295
MAT-POS-bfb445d4-2
0.295
BEN-DND-02317c5c-8
0.295
PET-UNK-e44ffd04-1
0.295
NAU-LAT-a5c7d7cb-12
0.295
TRY-UNI-9f475305-7
0.294
ABI-SAT-4d06482b-2
0.293
JOH-UNI-abfda500-5
0.290
JAN-GHE-83b26c96-15
0.290
EDG-MED-0da5ad92-1
0.290
ANN-UNI-98d2bf15-3
0.290
JOH-UNI-50ce7ec3-6
0.290
BEN-DND-1e24cf73-2
0.290
MIC-UNK-668ac5de-1
0.290
ALP-POS-95b75b4d-8
0.289
SAM-UNK-2684b532-13
0.289
JAN-GHE-5a013bed-4
0.289
BEN-DND-1e24cf73-3
0.289
JIN-POS-6dc588a4-6
0.289
JOH-UNI-6fede743-4
0.289
BAR-COM-ebf5acce-10
0.288
DAR-DIA-56cf811e-6
0.288
EDJ-MED-239d8ca5-2
0.288
PET-UNK-158bee2a-2
0.287
JAN-GHE-5a013bed-9
0.287
JAN-GHE-5a013bed-6
0.287
JAN-GHE-f4ca5a00-12
0.287
NAU-LAT-e1818702-1
0.287
JAN-GHE-83b26c96-16
0.287
BAR-COM-ebf5acce-1
0.287
MIC-UNK-50cce87d-3
0.286
RUB-POS-1325a9ea-3
0.286
RUB-POS-1325a9ea-18
0.286