Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(C#N)c1 |
MW: | 315.07 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.92 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-27
TRY-UNI-714a760b-20
0.657
SAD-SAT-24589cd1-5
0.643
SAD-SAT-24589cd1-8
0.616
SAD-SAT-24589cd1-1
0.600
TRY-UNI-714a760b-19
0.573
ANN-UNI-26382800-5
0.556
RAL-THA-2d450e86-12
0.538
SAD-SAT-24589cd1-9
0.529
MAK-UNK-748f8b7a-6
0.523
SAD-SAT-24589cd1-6
0.523
SAD-SAT-24589cd1-10
0.517
ALP-POS-95b75b4d-7
0.506
MAK-UNK-748f8b7a-9
0.490
ALP-POS-95b75b4d-9
0.456
MAK-UNK-6ca90168-23
0.443
JAN-GHE-83b26c96-13
0.423
RUB-POS-1325a9ea-19
0.420
DAR-DIA-0cde14eb-14
0.414
EDJ-MED-e58735b6-3
0.410
EDJ-MED-e58735b6-1
0.407
PET-UNK-c9c1e0d8-2
0.407
EDJ-MED-e58735b6-2
0.405
TRY-UNI-714a760b-6
0.405
ALP-POS-95b75b4d-2
0.405
DAR-DIA-23aa0b97-4
0.405
TRY-UNI-2eddb1ff-1
0.402
JIN-POS-6dc588a4-3
0.402
ALP-POS-95b75b4d-1
0.400
JAN-GHE-83b26c96-12
0.400
SAM-UNK-2684b532-13
0.397
ALP-POS-95b75b4d-8
0.397
DAR-DIA-0cde14eb-4
0.395
MAT-POS-c20a539d-5
0.393
PET-UNK-6314f867-2
0.393
DAR-DIA-0cde14eb-79
0.393
ALP-POS-95b75b4d-6
0.392
GAB-REV-70cc3ca5-19
0.391
JIN-POS-6dc588a4-6
0.388
BEN-DND-61647d40-8
0.388
MAT-POS-bb423b95-5
0.386
ALP-POS-95b75b4d-3
0.386
ANN-UNI-98d2bf15-2
0.386
SAM-UNK-2684b532-12
0.386
JAN-GHE-83b26c96-14
0.386
DAR-DIA-0cde14eb-76
0.386
JIN-POS-6dc588a4-4
0.386
DAR-DIA-0cde14eb-2
0.384
ALP-POS-95b75b4d-10
0.379
ANN-UNI-98d2bf15-3
0.378
JOH-UNI-abfda500-4
0.378
JOH-UNI-abfda500-5
0.378
DAR-DIA-0cde14eb-78
0.376
JOH-UNI-61f30276-4
0.375
BEN-DND-61647d40-7
0.373
AGN-NEW-c7b24fe3-3
0.373
ANN-UNI-98d2bf15-5
0.372
ALP-POS-95b75b4d-4
0.372
DAR-DIA-0cde14eb-1
0.372
TRY-UNI-1fd04853-6
0.371
SAM-UNK-2684b532-11
0.369
DAR-DIA-0cde14eb-3
0.364
DAR-DIA-0cde14eb-77
0.364
AGN-NEW-c7b24fe3-4
0.361
JOH-UNI-abfda500-7
0.360
MAT-POS-bb423b95-1
0.360
MAT-POS-bb423b95-4
0.360
ALP-POS-95b75b4d-5
0.360
TRY-UNI-714a760b-24
0.357
ALP-POS-0c2c77e1-1
0.356
MAT-POS-bb423b95-3
0.356
EDJ-MED-e58735b6-4
0.356
PET-UNK-6314f867-3
0.356
PET-UNK-8df914d1-3
0.354
MAT-POS-f7918075-5
0.352
MAT-POS-90fd5f68-27
0.351
MAT-POS-90fd5f68-9
0.351
RAL-THA-2d450e86-11
0.348
SAD-SAT-7d5528d9-1
0.348
EDJ-MED-c5ca5386-2
0.348
MAT-POS-8feb6e35-1
0.348
DAR-DIA-0cde14eb-59
0.347
TRY-UNI-714a760b-5
0.346
TRY-UNI-714a760b-3
0.345
RAL-THA-2d450e86-13
0.345
PET-SGC-175e168c-1
0.344
TRY-UNI-1fd04853-1
0.344
BRU-LEF-c49414a7-1
0.344
RAL-THA-901e9a10-7
0.344
TRY-UNI-714a760b-22
0.341
MAT-POS-8feb6e35-2
0.340
DAR-DIA-23aa0b97-3
0.337
MIC-UNK-d935700b-1
0.337
JIN-POS-6dc588a4-24
0.337
MAK-UNK-919546f0-1
0.337
MAK-UNK-f481d203-1
0.337
MAK-UNK-f481d203-2
0.337
MAT-POS-c20a539d-8
0.337
RAL-THA-2d450e86-10
0.333
ADA-UCB-6c2cb422-1
0.333
ABI-SAT-4d06482b-2
0.333