Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)c1csc(CCN)n1 |
| MW: | 262.09 |
| Fraction sp3: | 0.25 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 80.9 |
| cLogP: | 1.6 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-3498072613 |
| MolPort: | MolPort-025-017-744 |
MAR-TRE-67513f76-49
0.652
MAR-TRE-9c797165-91
0.574
MAR-TRE-67513f76-66
0.571
MAK-UNK-6ca90168-26
0.438
MAK-UNK-6435e6c2-8
0.433
AAR-POS-d2a4d1df-3
0.433
GAB-REV-70cc3ca5-15
0.432
ALE-HEI-f28a35b5-3
0.431
ALE-HEI-f28a35b5-2
0.417
PET-SGC-6e7c5dc0-1
0.403
MAT-POS-590ac91e-11
0.400
MAK-UNK-6ca90168-27
0.400
ASH-SAT-43770c7d-9
0.397
GAB-REV-70cc3ca5-20
0.395
MIH-UNI-6b9ca91a-1
0.392
MAK-UNK-129dcd6f-17
0.390
ALE-HEI-f28a35b5-10
0.387
JOH-UNI-abfda500-6
0.382
ALE-HEI-f28a35b5-11
0.382
ANN-UNI-98d2bf15-1
0.382
ALE-HEI-f28a35b5-13
0.380
ALE-HEI-f28a35b5-12
0.380
MAT-POS-590ac91e-13
0.380
MAT-POS-590ac91e-9
0.378
ERI-UCB-5b47150d-1
0.377
MAT-POS-590ac91e-1
0.377
MAT-POS-590ac91e-2
0.377
JAN-GHE-83b26c96-13
0.377
BEN-DND-93268d01-5
0.377
MAK-UNK-f203cb68-21
0.374
RAL-THA-6b94ceba-13
0.373
BEN-DND-93268d01-11
0.373
EDG-MED-0da5ad92-4
0.373
ALE-HEI-f28a35b5-6
0.373
TRY-UNI-714a760b-10
0.373
BEN-DND-93268d01-9
0.373
BEN-DND-09b88bf4-5
0.373
GAB-REV-70cc3ca5-22
0.371
TRY-UNI-714a760b-5
0.370
ALE-HEI-f28a35b5-17
0.370
SCO-VAN-260d9628-1
0.370
JAN-GHE-83b26c96-11
0.370
MAK-UNK-f203cb68-17
0.369
BAR-COM-0f94fc3d-41
0.369
BEN-DND-93268d01-10
0.368
BEN-DND-93268d01-3
0.368
ERI-UCB-5b47150d-4
0.366
GAB-REV-70cc3ca5-3
0.366
RAL-THA-6b94ceba-6
0.366
MAT-POS-590ac91e-6
0.365
MAK-UNK-f203cb68-14
0.365
MAK-UNK-f203cb68-15
0.365
EDG-MED-0da5ad92-8
0.364
BEN-DND-93268d01-8
0.364
EDJ-MED-3c65e9ce-1
0.364
MAT-POS-590ac91e-15
0.364
MAT-POS-590ac91e-17
0.364
TRY-UNI-2eddb1ff-2
0.364
BEN-DND-93268d01-7
0.362
BEN-DND-6de5dfa0-1
0.362
BEN-DND-09b88bf4-2
0.362
BEN-DND-03406596-7
0.362
PET-SGC-2e937068-1
0.361
PED-UNI-292b67d6-1
0.361
PET-SGC-83d43576-1
0.360
MAT-POS-590ac91e-5
0.360
ERI-UCB-5b47150d-6
0.360
MAT-POS-590ac91e-7
0.360
BEN-DND-93268d01-13
0.359
NAU-LAT-3f5f3993-2
0.359
TRY-UNI-714a760b-6
0.359
EDJ-MED-3c65e9ce-4
0.359
ALP-POS-f13221e1-4
0.358
NIR-THE-b7e8e081-2
0.358
MAR-TRE-2fd8122f-99
0.358
BEN-DND-09b88bf4-6
0.358
BEN-DND-6de5dfa0-16
0.358
BEN-DND-6de5dfa0-7
0.358
BAR-COM-0f94fc3d-25
0.357
BAR-COM-0f94fc3d-58
0.357
DAR-DIA-0cde14eb-62
0.357
RAL-THA-6b94ceba-7
0.357
MAT-POS-5d20d11c-1
0.356
MAT-POS-590ac91e-16
0.356
TRY-UNI-714a760b-4
0.356
ALE-HEI-f28a35b5-1
0.356
MAT-POS-590ac91e-23
0.355
DAR-DIA-6a508060-12
0.355
GAB-REV-70cc3ca5-21
0.355
DAR-DIA-0cde14eb-17
0.355
BEN-DND-22e6b372-4
0.354
BEN-DND-93268d01-4
0.354
EDG-MED-0da5ad92-11
0.354
JAN-GHE-83b26c96-20
0.354
DAR-DIA-0cde14eb-65
0.354
BEN-DND-6de5dfa0-14
0.354
CHO-MSK-6e55470f-16
0.353
SAD-SAT-cefd50cc-10
0.353
MAK-UNK-129dcd6f-9
0.353
DAN-RED-da448e80-9
0.353