Molecular Properties | |
SMILES: | Cc1ccncc1-n1cc(Cc2cccc(Cl)c2)nn1 |
MW: | 284.75 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 43.6 |
cLogP: | 3.21492 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
ALP-POS-95b75b4d-12
0.681
JAG-UCB-cedd89ab-1
0.378
PET-UNK-7a31b064-3
0.356
PET-UNK-94460c07-4
0.352
VLA-UCB-00f2c2b3-5
0.349
PET-UNK-5eca9d1d-3
0.349
VLA-UCB-1dbca3b4-4
0.345
PET-UNK-94460c07-3
0.345
EDG-MED-0da5ad92-6
0.341
TRY-UNI-714a760b-6
0.341
EDJ-MED-e66f2cc5-1
0.341
EDJ-MED-49816e9b-4
0.341
JOH-UNI-61f30276-1
0.337
DAR-DIA-56cf811e-2
0.337
PET-UNK-eda34f30-1
0.337
DAR-DIA-076fb6ea-7
0.337
EDG-MED-0da5ad92-1
0.333
JAN-GHE-83b26c96-17
0.333
JAN-GHE-83b26c96-15
0.333
SAD-SAT-7d5528d9-18
0.333
PET-UNK-5eca9d1d-1
0.333
PET-UNK-7a31b064-4
0.330
PET-UNK-5eca9d1d-2
0.330
DAR-DIA-bd041b9b-17
0.327
ADA-UCB-6c2cb422-5
0.326
JAN-GHE-d851b096-1
0.326
BAR-COM-ebf5acce-1
0.326
PET-UNK-bbe8d7ff-2
0.326
PET-UNK-bbe8d7ff-1
0.326
ALP-POS-f13221e1-4
0.326
DAR-DIA-076fb6ea-16
0.322
SAD-SAT-7d5528d9-17
0.322
SAD-SAT-7d5528d9-12
0.319
SAD-SAT-7d5528d9-13
0.319
JOH-UNI-a38a7bdd-9
0.319
EDJ-MED-49816e9b-6
0.318
BAR-COM-ebf5acce-13
0.316
BAR-COM-ebf5acce-2
0.316
SAD-SAT-7d5528d9-46
0.315
SAM-UNK-2684b532-14
0.315
DAR-DIA-56cf811e-4
0.312
SAD-SAT-7d5528d9-7
0.312
DAR-DIA-076fb6ea-6
0.309
BAR-COM-ebf5acce-15
0.309
DAR-DIA-076fb6ea-2
0.308
JOH-UNI-a38a7bdd-3
0.308
JOH-UNI-a38a7bdd-4
0.308
ADA-UCB-6c2cb422-7
0.307
BAR-COM-ebf5acce-14
0.306
JOH-UNI-a38a7bdd-7
0.306
JOH-UNI-a38a7bdd-8
0.306
BAR-COM-ebf5acce-9
0.305
ALP-POS-75715966-4
0.302
TRY-UNI-2eddb1ff-5
0.299
TRY-UNI-2eddb1ff-4
0.299
TRY-UNI-714a760b-18
0.299
JAN-GHE-83b26c96-4
0.299
JAN-GHE-83b26c96-5
0.299
BAR-COM-ebf5acce-3
0.298
VLA-UCB-05e51b3f-3
0.297
BAR-COM-ebf5acce-11
0.297
SAD-SAT-7d5528d9-4
0.296
IND-SYN-2c708b29-1
0.296
EDJ-MED-e66f2cc5-2
0.295
JAN-GHE-83b26c96-9
0.295
KIM-UNI-60f168f5-3
0.294
EDG-MED-0da5ad92-15
0.294
DAR-DIA-076fb6ea-14
0.292
BAR-COM-ebf5acce-6
0.292
EDG-MED-0da5ad92-19
0.291
BAR-COM-ebf5acce-8
0.290
EDG-MED-0da5ad92-20
0.289
MIC-UNK-5ce21166-1
0.287
ANN-UNI-98d2bf15-3
0.287
JOH-UNI-abfda500-5
0.287
DAR-DIA-bd041b9b-29
0.287
DAR-DIA-076fb6ea-10
0.286
BAR-COM-ebf5acce-4
0.286
DAR-DIA-56cf811e-6
0.286
BAR-COM-ebf5acce-10
0.286
JAN-GHE-83b26c96-25
0.284
SAD-SAT-7d5528d9-35
0.283
DAR-DIA-076fb6ea-13
0.283
DAR-DIA-53551c05-3
0.283
DAR-DIA-076fb6ea-4
0.283
ALP-POS-95b75b4d-6
0.282
JAN-GHE-83b26c96-3
0.281
MAT-POS-bb423b95-5
0.281
EDG-MED-0da5ad92-5
0.281
RUB-POS-1325a9ea-19
0.281
VLA-UNK-0ffe3317-6
0.280
EDJ-MED-49816e9b-1
0.279
KIM-UNI-60f168f5-4
0.279
RIT-AID-a492ba81-1
0.279
BAR-COM-ebf5acce-5
0.277
EDG-MED-0da5ad92-2
0.277
EDG-MED-0da5ad92-18
0.276
KIM-UNI-60f168f5-5
0.276
EDG-MED-0da5ad92-3
0.276
JAN-GHE-83b26c96-24
0.276