Molecule Details
| Molecular Properties | |
| SMILES: | Cc1nnc(NC(=O)Nc2cnccc2C)s1 |
| MW: | 249.299 |
| Fraction sp3: | 0.2 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 79.8 |
| cLogP: | 2.19394 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ALE-HEI-f28a35b5-4
0.525
TRY-UNI-714a760b-4
0.517
ALE-HEI-f28a35b5-1
0.517
ALE-HEI-f28a35b5-3
0.508
MAK-UNK-6435e6c2-8
0.500
AAR-POS-d2a4d1df-3
0.500
ALE-HEI-f28a35b5-13
0.475
CHR-SOS-363cfb78-2
0.471
TRY-UNI-714a760b-12
0.470
JAG-UCB-cedd89ab-8
0.470
TRY-UNI-714a760b-24
0.464
MAK-UNK-6ca90168-27
0.456
PET-SGC-6e7c5dc0-1
0.453
DAR-DIA-0cde14eb-65
0.451
DAR-DIA-0cde14eb-68
0.451
MAT-POS-590ac91e-2
0.450
ERI-UCB-5b47150d-1
0.450
MAT-POS-590ac91e-1
0.450
ASH-SAT-43770c7d-9
0.450
MAK-UNK-6ca90168-26
0.448
ALE-HEI-f28a35b5-11
0.448
TRY-UNI-714a760b-11
0.446
ALE-HEI-f28a35b5-7
0.446
DAR-DIA-0cde14eb-66
0.444
DAR-DIA-0cde14eb-67
0.444
DAR-DIA-0cde14eb-69
0.432
TRY-UNI-1fd04853-2
0.432
MAT-POS-590ac91e-13
0.429
DAR-DIA-0cde14eb-5
0.425
TRY-UNI-bbd40bb4-6
0.423
MAT-POS-590ac91e-16
0.422
MAT-POS-5d20d11c-1
0.422
PET-SGC-01d224dd-1
0.422
TRY-UNI-9f475305-5
0.422
NAU-LAT-3f5f3993-2
0.420
TRY-UNI-9f475305-4
0.420
DAR-DIA-0cde14eb-6
0.419
DAR-DIA-0cde14eb-7
0.419
DAR-DIA-0cde14eb-8
0.419
SIM-DEM-f31d0e65-1
0.419
MAR-TRE-67513f76-68
0.417
CHR-SOS-1f323c23-10
0.417
CHR-SOS-363cfb78-7
0.416
TRY-UNI-714a760b-5
0.415
ERI-UCB-5b47150d-4
0.413
SAM-UNK-2684b532-3
0.412
TRY-UNI-9f475305-3
0.412
SAM-UNK-2684b532-4
0.412
EDJ-MED-c9f55a56-1
0.412
DAR-DIA-0cde14eb-9
0.408
ALE-HEI-f28a35b5-12
0.406
MAT-POS-590ac91e-11
0.406
JOH-UNI-abfda500-6
0.406
ANN-UNI-98d2bf15-1
0.406
CHR-SOS-1f323c23-7
0.405
MAT-POS-590ac91e-5
0.403
MAT-POS-590ac91e-9
0.403
TRY-UNI-714a760b-17
0.403
AHN-SAT-202241f6-1
0.403
MAK-UNK-129dcd6f-15
0.400
BEN-DND-93268d01-14
0.400
CHR-SOS-1f323c23-4
0.400
CHR-SOS-6c45c019-12
0.400
CHR-SOS-363cfb78-8
0.398
TRY-UNI-bbd40bb4-5
0.398
CHR-SOS-1f323c23-12
0.397
ABI-SAT-4d06482b-1
0.397
MIH-UNI-6b9ca91a-1
0.397
JAN-GHE-83b26c96-11
0.394
SCO-VAN-260d9628-1
0.394
ALE-HEI-f28a35b5-17
0.394
MAK-UNK-129dcd6f-18
0.392
SAM-UNK-2684b532-8
0.392
MAT-POS-590ac91e-26
0.391
BEN-DND-93268d01-3
0.391
ALE-HEI-f28a35b5-10
0.391
CHR-SOS-363cfb78-6
0.391
CHR-SOS-1f323c23-11
0.390
CHR-SOS-1f323c23-1
0.390
CHR-SOS-6c45c019-9
0.390
EDG-MED-0da5ad92-9
0.389
MAK-UNK-f203cb68-18
0.389
MAT-POS-590ac91e-6
0.388
MAT-POS-590ac91e-19
0.388
MAT-POS-590ac91e-18
0.388
CHR-SOS-1f323c23-9
0.388
TRY-UNI-714a760b-16
0.386
BEN-DND-93268d01-8
0.386
EDJ-MED-3c65e9ce-1
0.386
BEN-DND-6de5dfa0-10
0.386
TRY-UNI-1fd04853-3
0.386
ERI-UCB-5b47150d-6
0.382
MAT-POS-590ac91e-7
0.382
MAK-UNK-129dcd6f-12
0.382
DAN-RED-da448e80-1
0.382
WAR-XCH-e55cba98-9
0.382
PED-UNI-5b7f1100-1
0.382
DRE-WAB-eb790b7a-1
0.382
PED-UNI-8d53fd73-1
0.382
CHR-SOS-1f323c23-8
0.381