Molecule Details
| Molecular Properties | |
| SMILES: | Cc1nnc(CC(=O)Nc2cnccc2C)s1 |
| MW: | 248.311 |
| Fraction sp3: | 0.27 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 67.77 |
| cLogP: | 1.73114 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z2627791575 |
ALE-HEI-f28a35b5-5
0.557
TRY-UNI-714a760b-5
0.550
JAN-GHE-83b26c96-11
0.550
MIH-UNI-6b9ca91a-1
0.548
MAK-UNK-6ca90168-26
0.545
ANN-UNI-98d2bf15-1
0.531
JOH-UNI-abfda500-6
0.531
ASH-SAT-43770c7d-9
0.517
ALE-HEI-f28a35b5-12
0.517
PET-SGC-6e7c5dc0-1
0.516
EDJ-MED-c9f55a56-1
0.516
ALE-HEI-f28a35b5-2
0.508
EDG-MED-0da5ad92-8
0.508
TRY-UNI-2eddb1ff-2
0.508
TRY-UNI-714a760b-6
0.500
EDJ-MED-e58735b6-2
0.500
JAN-GHE-83b26c96-13
0.500
ALP-POS-95b75b4d-2
0.500
GAB-REV-70cc3ca5-20
0.500
GAB-REV-70cc3ca5-21
0.500
GAB-REV-70cc3ca5-15
0.493
ANN-UNI-98d2bf15-2
0.493
TRY-UNI-2eddb1ff-1
0.493
ALP-POS-95b75b4d-1
0.493
JAN-GHE-83b26c96-12
0.493
MAT-POS-590ac91e-24
0.492
MAT-POS-590ac91e-6
0.492
MAT-POS-590ac91e-11
0.492
AAR-POS-d2a4d1df-3
0.491
MAK-UNK-6435e6c2-8
0.491
RAL-THA-6b94ceba-7
0.486
TRY-UNI-714a760b-20
0.486
RAL-THA-6b94ceba-6
0.479
EDJ-MED-e58735b6-1
0.478
BEN-DND-93268d01-7
0.478
DAR-DIA-0cde14eb-61
0.472
DAR-DIA-0cde14eb-64
0.472
PET-SGC-2e937068-1
0.472
DAR-DIA-0cde14eb-76
0.471
JAN-GHE-83b26c96-14
0.471
ALP-POS-95b75b4d-3
0.471
BEN-DND-93268d01-10
0.470
MAT-POS-590ac91e-10
0.470
ALE-HEI-f28a35b5-10
0.470
DAR-DIA-0cde14eb-62
0.466
DAR-DIA-0cde14eb-63
0.466
GAB-REV-70cc3ca5-13
0.464
MAT-POS-590ac91e-17
0.463
MAT-POS-590ac91e-7
0.462
MAT-POS-590ac91e-9
0.462
THO-SYG-cc9e9a11-2
0.459
EDJ-MED-e58735b6-3
0.458
DAR-DIA-0cde14eb-79
0.458
DAR-DIA-0cde14eb-78
0.458
MAT-POS-c9973a83-1
0.458
BEN-DND-93268d01-5
0.456
BEN-DND-09b88bf4-5
0.455
BEN-DND-93268d01-9
0.455
MAT-POS-590ac91e-23
0.455
BEN-DND-93268d01-11
0.455
TRY-UNI-714a760b-10
0.455
ALE-HEI-f28a35b5-6
0.455
EDG-MED-0da5ad92-4
0.455
TRY-UNI-1fd04853-1
0.453
PET-SGC-175e168c-1
0.453
WIL-MOD-03b86a88-5
0.453
WIL-MOD-03b86a88-3
0.453
ANN-UNI-98d2bf15-5
0.452
DAR-DIA-0cde14eb-1
0.452
ALP-POS-95b75b4d-4
0.452
BEN-DND-93268d01-4
0.449
BEN-DND-22e6b372-4
0.449
MAK-UNK-372b0df5-3
0.449
MAK-UNK-6ca90168-27
0.448
WIL-MOD-03b86a88-6
0.447
DAR-DIA-0cde14eb-74
0.447
GAB-REV-70cc3ca5-9
0.446
RAL-THA-6b94ceba-13
0.446
VLA-UCB-00f2c2b3-2
0.446
DAR-DIA-0cde14eb-2
0.446
THO-SYG-cc9e9a11-1
0.446
EDG-MED-0da5ad92-9
0.443
ADA-UCB-6c2cb422-4
0.442
NAU-LAT-0543f7f2-6
0.442
MAT-POS-590ac91e-15
0.441
EDJ-MED-3c65e9ce-1
0.441
BEN-DND-93268d01-8
0.441
RAL-THA-6b94ceba-15
0.440
DAR-DIA-0cde14eb-3
0.440
DAR-DIA-0cde14eb-77
0.440
DAR-DIA-0cde14eb-4
0.440
RAL-THA-6b94ceba-5
0.440
VLA-UCB-00f2c2b3-1
0.440
GAB-REV-70cc3ca5-23
0.440
GAB-REV-70cc3ca5-3
0.438
MAT-POS-044491d2-7
0.438
TRY-UNI-714a760b-4
0.438
ALE-HEI-f28a35b5-1
0.438
BEN-DND-03406596-7
0.437
BEN-DND-6de5dfa0-4
0.437