Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccnc1)Nc1cc(Cl)cnc1O |
| MW: | 263.05 |
| Fraction sp3: | 0.08 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 75.11 |
| cLogP: | 2.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-61647d40-7
0.615
BEN-DND-61647d40-18
0.578
BEN-DND-61647d40-8
0.478
ANT-DIA-3c79be55-2
0.456
DAR-DIA-23aa0b97-16
0.406
DAR-DIA-23aa0b97-4
0.397
DAR-DIA-23aa0b97-6
0.397
NAU-LAT-64f4b287-9
0.388
GAB-REV-70cc3ca5-13
0.387
ALP-POS-95b75b4d-6
0.384
EDG-MED-0da5ad92-2
0.380
RAL-MED-2de63afb-1
0.375
ALP-POS-95b75b4d-8
0.370
SAM-UNK-2684b532-13
0.370
EDJ-MED-c8e7a002-12
0.367
EDG-MED-0da5ad92-8
0.365
EDG-MED-0da5ad92-14
0.365
TRY-UNI-2eddb1ff-2
0.365
MAK-UNK-6ca90168-23
0.364
RUB-POS-1325a9ea-12
0.362
MAK-UNK-a7b37c5e-4
0.362
TRY-UNI-714a760b-6
0.360
JIN-POS-6dc588a4-10
0.358
MAT-POS-bb423b95-2
0.358
MAK-UNK-a7b37c5e-3
0.357
ANT-OPE-6e66bf84-1
0.357
ABI-SAT-4d06482b-2
0.355
VLA-UCB-00f2c2b3-7
0.354
RUB-POS-1325a9ea-8
0.354
EDG-MED-0da5ad92-21
0.351
AGN-NEW-c7b24fe3-4
0.351
JOH-UNI-abfda500-5
0.351
AGN-NEW-c7b24fe3-5
0.351
ANN-UNI-98d2bf15-3
0.351
JOH-UNI-abfda500-4
0.351
MAT-POS-bb423b95-1
0.350
ANT-OPE-6e66bf84-2
0.349
SAD-SAT-24589cd1-4
0.348
AGN-NEW-c7b24fe3-1
0.346
RUB-POS-1325a9ea-13
0.346
JIN-POS-6dc588a4-6
0.346
JAN-GHE-5a013bed-8
0.342
SAM-UNK-2684b532-11
0.342
SAM-UNK-2684b532-12
0.342
MAT-POS-bb423b95-5
0.342
RUB-POS-1325a9ea-19
0.342
JIN-POS-6dc588a4-4
0.342
JIN-POS-6dc588a4-3
0.342
JAN-GHE-5a013bed-10
0.338
ALP-POS-95b75b4d-7
0.338
MAT-POS-f7918075-3
0.337
MIC-UNK-08cd9c58-1
0.337
ALP-POS-95b75b4d-5
0.333
MAT-POS-bb423b95-4
0.333
SAN-PRS-52b81272-2
0.333
ALP-POS-0c2c77e1-1
0.329
MAT-POS-bb423b95-3
0.329
RAL-THA-2d450e86-30
0.329
RUB-POS-1325a9ea-11
0.325
MAT-POS-f7918075-5
0.325
MAT-POS-199e2e7c-1
0.325
MIC-UNK-d935700b-2
0.325
JIN-POS-6dc588a4-12
0.325
EDJ-MED-076d6e64-1
0.325
EDJ-MED-c8e7a002-16
0.325
JIN-POS-6dc588a4-14
0.325
MIC-UNK-d935700b-1
0.325
PET-UNK-8df914d1-3
0.325
ALP-POS-95b75b4d-2
0.325
JAN-GHE-5a013bed-11
0.324
MAT-POS-14ad9fe9-1
0.322
MIC-UNK-8971c93c-1
0.321
MAT-POS-f7918075-4
0.321
MAT-POS-f7918075-8
0.321
MAR-TRE-9d18ae8c-35
0.321
MAK-UNK-a7b37c5e-5
0.319
MAT-POS-bb423b95-9
0.317
EDG-MED-0da5ad92-17
0.316
TRY-UNI-714a760b-3
0.316
EDG-MED-0da5ad92-16
0.316
TRY-UNI-714a760b-5
0.315
JAN-GHE-5a013bed-9
0.315
ENA-ENA-cf881d10-1
0.315
DAR-DIA-43a5904b-5
0.314
MAT-POS-90fd5f68-37
0.314
DAR-DIA-43a5904b-6
0.314
JIN-POS-6dc588a4-13
0.313
PET-UNK-b1ef24dc-1
0.313
PET-UNK-7f7e354d-7
0.313
EDJ-MED-e58735b6-1
0.312
RAL-THA-6b94ceba-4
0.312
MAT-POS-9ff17035-3
0.312
MAK-UNK-a7b37c5e-1
0.311
MAK-UNK-c749d764-17
0.311
RAL-THA-6b94ceba-9
0.310
WAR-XCH-eb7b662f-3
0.310
RUB-POS-1325a9ea-5
0.310
EDJ-MED-c5ca5386-1
0.310
JOH-UNI-6fede743-1
0.310
RAL-THA-6b94ceba-13
0.310