Molecular Properties | |
SMILES: | Cc1ccncc1N(C(=O)Cc1cccc(Cl)c1)n1cnc(O)c1 |
MW: | 342.09 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.25 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
AAR-POS-d2a4d1df-1
JAN-GHE-83b26c96-15
0.608
EDG-MED-0da5ad92-1
0.608
PET-UNK-bbe8d7ff-1
0.543
PET-UNK-bbe8d7ff-2
0.543
DAR-DIA-076fb6ea-2
0.537
JOH-UNI-a38a7bdd-3
0.537
DAR-DIA-56cf811e-2
0.537
DAR-DIA-076fb6ea-16
0.537
JOH-UNI-a38a7bdd-4
0.537
DAR-DIA-076fb6ea-7
0.529
BAR-COM-ebf5acce-1
0.518
BAR-COM-ebf5acce-3
0.518
JAN-GHE-d851b096-1
0.518
BAR-COM-ebf5acce-14
0.517
VLA-UCB-05e51b3f-3
0.516
DAR-DIA-076fb6ea-6
0.512
BAR-COM-ebf5acce-15
0.512
BAR-COM-ebf5acce-10
0.511
DAR-DIA-56cf811e-6
0.511
BAR-COM-ebf5acce-9
0.506
BAR-COM-ebf5acce-6
0.506
JOH-UNI-a38a7bdd-9
0.506
DAR-DIA-076fb6ea-13
0.506
BAR-COM-ebf5acce-7
0.505
BAR-COM-ebf5acce-8
0.495
DAR-DIA-56cf811e-4
0.494
BAR-COM-ebf5acce-4
0.494
DAR-DIA-076fb6ea-4
0.489
JOH-UNI-a38a7bdd-8
0.484
JOH-UNI-a38a7bdd-7
0.484
BAR-COM-ebf5acce-5
0.478
BAR-COM-ebf5acce-13
0.478
BAR-COM-ebf5acce-12
0.473
DAR-DIA-076fb6ea-14
0.469
BAR-COM-ebf5acce-11
0.468
DAR-DIA-076fb6ea-10
0.464
TRY-UNI-714a760b-6
0.427
JAN-GHE-83b26c96-16
0.412
PET-UNK-e8c7a26f-2
0.407
EDG-MED-0da5ad92-6
0.393
JOH-UNI-50ce7ec3-6
0.391
MIC-UNK-67d4a29a-3
0.391
PET-UNK-8df914d1-4
0.386
PET-UNK-8df914d1-3
0.376
ALP-POS-f13221e1-4
0.375
EDJ-MED-6e43a462-6
0.374
MIC-UNK-67d4a29a-1
0.370
MAT-POS-bb423b95-7
0.370
EDJ-MED-49816e9b-2
0.369
MIC-UNK-67d4a29a-4
0.368
EDJ-MED-b24713dc-4
0.366
ALP-POS-95b75b4d-6
0.365
EDJ-MED-49816e9b-3
0.365
BEN-DND-1e24cf73-3
0.363
SAM-UNK-2684b532-14
0.363
VLA-UCB-05e51b3f-17
0.362
BEN-DND-1e24cf73-2
0.362
JAN-GHE-5a013bed-8
0.361
EDG-MED-0da5ad92-2
0.361
PET-UNK-12d8d43f-2
0.361
PET-UNK-a692de38-1
0.361
EDG-MED-0da5ad92-15
0.360
MAT-POS-bb423b95-5
0.360
PET-UNK-8df914d1-5
0.360
MIC-UNK-67d4a29a-2
0.358
JOH-UNI-50ce7ec3-5
0.357
EDG-MED-0da5ad92-18
0.356
EDJ-MED-b24713dc-1
0.355
ALP-POS-95b75b4d-8
0.353
SAM-UNK-2684b532-13
0.353
EDG-MED-0da5ad92-13
0.353
JAG-UCB-a3ef7265-15
0.353
EDG-MED-0da5ad92-16
0.353
EDJ-MED-6e43a462-9
0.352
JOH-UNI-ee5ed7c8-13
0.351
JOH-UNI-3fc3434e-13
0.351
JOH-UNI-3fc3434e-12
0.350
JOH-UNI-ee5ed7c8-12
0.350
MAK-UNK-6ca90168-23
0.348
MAT-POS-bb423b95-3
0.348
ALP-POS-0c2c77e1-1
0.348
JIN-POS-6dc588a4-6
0.348
PET-UNK-12d8d43f-1
0.347
VLA-UCB-05e51b3f-15
0.347
PET-UNK-6c2be958-1
0.347
ALP-POS-75715966-4
0.347
JIN-POS-6dc588a4-3
0.344
RUB-POS-1325a9ea-19
0.344
EDJ-MED-6e43a462-5
0.344
VLA-UNK-411a133b-2
0.341
ABI-SAT-4d06482b-2
0.341
EDJ-MED-b24713dc-2
0.341
EDJ-MED-6e43a462-10
0.340
RUB-POS-1325a9ea-8
0.340
EDJ-MED-b24713dc-3
0.340
JOH-UNI-50ce7ec3-4
0.340
PET-UNK-5ecb6237-1
0.340
JOH-UNI-50ce7ec3-1
0.340
NAU-LAT-4ce8bf23-2
0.340
NAU-LAT-e1818702-7
0.337