Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O |
MW: | 302.421 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 76.13 |
cLogP: | 1.49642 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
MAK-UNK-372b0df5-2
0.623
ALE-HEI-f28a35b5-12
0.532
MAK-UNK-6ca90168-26
0.508
PET-SGC-6e7c5dc0-1
0.508
MAT-POS-590ac91e-10
0.507
MIH-UNI-6b9ca91a-1
0.493
BEN-DND-93268d01-4
0.486
ALE-HEI-f28a35b5-10
0.485
ASH-SAT-43770c7d-9
0.484
NAU-LAT-3f5f3993-5
0.479
BEN-DND-09b88bf4-3
0.479
BEN-DND-6de5dfa0-3
0.479
MAT-POS-590ac91e-17
0.478
GAB-REV-70cc3ca5-3
0.473
GAB-REV-70cc3ca5-20
0.471
BEN-DND-93268d01-5
0.471
BEN-DND-93268d01-9
0.471
BEN-DND-09b88bf4-5
0.471
JAN-GHE-83b26c96-11
0.470
TRY-UNI-714a760b-5
0.470
ALP-POS-f13221e1-4
0.466
MAT-POS-590ac91e-11
0.462
ANN-UNI-98d2bf15-1
0.457
JOH-UNI-abfda500-6
0.457
MAK-UNK-6435e6c2-8
0.456
AAR-POS-d2a4d1df-3
0.456
MAT-POS-590ac91e-7
0.456
BEN-DND-93268d01-7
0.452
TRY-UNI-714a760b-6
0.451
EDJ-MED-3c65e9ce-4
0.451
TRY-UNI-714a760b-10
0.449
BEN-DND-93268d01-11
0.449
MAT-POS-590ac91e-23
0.449
ALE-HEI-f28a35b5-3
0.449
EDG-MED-0da5ad92-4
0.449
ALE-HEI-f28a35b5-6
0.449
WIL-WAB-6ef46ddb-1
0.449
PET-SGC-d5b502b1-1
0.449
PET-SGC-83d43576-1
0.443
MAT-POS-590ac91e-24
0.443
EDJ-MED-c9f55a56-1
0.443
BEN-DND-93268d01-10
0.443
MAK-UNK-6ca90168-27
0.443
MAT-POS-590ac91e-6
0.441
BEN-DND-93268d01-6
0.440
EDG-MED-0da5ad92-8
0.437
EDJ-MED-3c65e9ce-1
0.437
BEN-DND-93268d01-8
0.437
TRY-UNI-2eddb1ff-2
0.437
MAT-POS-590ac91e-9
0.435
EDJ-MED-e58735b6-3
0.434
PET-SGC-d0fd10df-1
0.434
BEN-DND-22e6b372-3
0.432
JAN-GHE-83b26c96-13
0.431
EDJ-MED-e58735b6-2
0.431
BEN-DND-93268d01-13
0.431
ALP-POS-95b75b4d-2
0.431
RAL-THA-6b94ceba-12
0.430
WIL-MOD-03b86a88-5
0.430
GAB-REV-70cc3ca5-21
0.429
PET-SGC-2e937068-1
0.429
PET-SGC-a3e47117-1
0.427
JAN-GHE-83b26c96-14
0.427
DAR-DIA-0cde14eb-76
0.427
ALP-POS-95b75b4d-3
0.427
BEN-DND-6de5dfa0-7
0.427
BEN-DND-09b88bf4-6
0.427
ALP-POS-95b75b4d-1
0.425
JAN-GHE-83b26c96-12
0.425
BEN-DND-22e6b372-4
0.425
RAL-THA-6b94ceba-13
0.423
BEN-DND-22e6b372-2
0.421
BEN-DND-6de5dfa0-14
0.421
BEN-DND-6de5dfa0-5
0.419
EDG-MED-0da5ad92-9
0.419
DAR-DIA-0cde14eb-77
0.418
RAL-THA-6b94ceba-15
0.418
VLA-UCB-00f2c2b3-1
0.418
MAT-POS-590ac91e-15
0.417
DAR-DIA-0cde14eb-79
0.416
BEN-DND-6de5dfa0-15
0.416
EDJ-MED-e58735b6-1
0.413
MAT-POS-590ac91e-25
0.413
NIR-THE-b7e8e081-1
0.413
BEN-DND-09b88bf4-2
0.413
BEN-DND-03406596-7
0.413
BEN-DND-6de5dfa0-1
0.413
MAK-UNK-372b0df5-1
0.412
RAL-THA-6b94ceba-14
0.412
RAL-THA-6b94ceba-16
0.412
GAB-REV-70cc3ca5-15
0.412
ALP-POS-95b75b4d-4
0.410
PED-UNI-292b67d6-1
0.410
SIM-DEM-f31d0e65-1
0.410
DAR-DIA-0cde14eb-64
0.410
ABI-SAT-4d06482b-1
0.408
BEN-DND-6de5dfa0-16
0.408
TRY-UNI-2eddb1ff-1
0.408
ANN-UNI-98d2bf15-2
0.408
NIR-THE-b7e8e081-2
0.408