Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1snc2ccccc12 |
| MW: | 302.03 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.13 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
VLA-UNK-4cf5aa07-1
VLA-UNK-4cf5aa07-1
1.000
VLA-UNK-4cf5aa07-2
0.529
PET-UNK-158bee2a-3
0.522
MAT-POS-f7918075-6
0.521
EDJ-MED-50fe53e8-2
0.521
JIN-POS-6dc588a4-21
0.514
JIN-POS-6dc588a4-7
0.507
JAN-GHE-5a013bed-6
0.485
PET-UNK-158bee2a-2
0.485
NAU-LAT-a5c7d7cb-10
0.473
EDJ-MED-c8e7a002-11
0.473
PET-UNK-158bee2a-4
0.471
JIN-POS-6dc588a4-5
0.459
NAU-LAT-e1818702-10
0.456
JAN-GHE-5a013bed-7
0.456
ADA-UCB-6c2cb422-1
0.453
ALP-POS-3b848b35-3
0.453
JIN-POS-6dc588a4-8
0.453
EDG-MED-0da5ad92-12
0.451
JAN-GHE-5a013bed-8
0.449
JAN-GHE-5a013bed-11
0.449
RUB-POS-1325a9ea-17
0.447
JAN-GHE-5a013bed-10
0.443
MAT-POS-3cc264b0-1
0.442
EDJ-MED-50fe53e8-1
0.442
NAU-LAT-a5c7d7cb-11
0.442
ROB-UNI-daaf9793-1
0.442
JOH-UNI-6fede743-4
0.442
JIN-POS-6dc588a4-22
0.442
MAT-POS-e1b5ac6b-1
0.442
JAN-GHE-5a013bed-9
0.441
EDG-MED-0da5ad92-16
0.437
JOH-UNI-6fede743-1
0.436
JAN-GHE-5a013bed-3
0.436
JIN-POS-6dc588a4-24
0.436
PET-UNK-b1ef24dc-4
0.436
RUB-POS-1325a9ea-18
0.436
JOH-UNI-6fede743-3
0.434
MAT-POS-bb423b95-6
0.434
JIN-POS-6dc588a4-19
0.434
EDJ-MED-49816e9b-3
0.431
JIN-POS-6dc588a4-23
0.430
JOH-UNI-6fede743-2
0.430
EDG-MED-0da5ad92-2
0.429
MIC-UNK-66895286-1
0.429
MAT-POS-4211dce8-1
0.429
JOH-UNI-3fc3434e-8
0.425
JOH-UNI-ee5ed7c8-8
0.425
EDJ-MED-c8e7a002-13
0.423
VLA-UNK-411a133b-2
0.423
JAN-GHE-5a013bed-5
0.418
EDJ-MED-c8e7a002-9
0.418
EDJ-MED-c8e7a002-10
0.418
EDG-MED-0da5ad92-21
0.417
PET-UNK-8df914d1-4
0.417
EDJ-MED-49816e9b-2
0.417
EDG-MED-0da5ad92-13
0.417
JAG-UCB-a3ef7265-15
0.417
NAU-LAT-e1818702-7
0.417
JAG-UCB-a3ef7265-17
0.417
ALP-POS-95b75b4d-8
0.417
SAM-UNK-2684b532-13
0.417
VLA-UNK-411a133b-1
0.417
VLA-UCB-00f2c2b3-7
0.416
PET-UNK-e44ffd04-1
0.416
NAU-LAT-a5c7d7cb-12
0.416
BEN-DND-02317c5c-8
0.416
JOH-UNI-abfda500-4
0.413
RUB-POS-1325a9ea-22
0.413
MAT-POS-f7918075-8
0.412
MIC-UNK-08cd9c58-1
0.412
MAT-POS-f7918075-3
0.412
ALP-POS-95b75b4d-6
0.411
EDG-MED-0da5ad92-14
0.411
EDJ-MED-49816e9b-5
0.411
EDJ-MED-50fe53e8-3
0.410
JIN-POS-6dc588a4-2
0.410
MAT-POS-bb423b95-9
0.410
BEN-DND-1e24cf73-1
0.410
EDG-MED-0da5ad92-15
0.405
PET-UNK-8df914d1-3
0.405
TRY-UNI-714a760b-6
0.405
PET-UNK-b1ef24dc-2
0.405
EDJ-MED-c8e7a002-14
0.405
JIN-POS-6dc588a4-13
0.405
NAU-LAT-e1818702-8
0.405
ALP-POS-0c2c77e1-1
0.405
MAT-POS-bb423b95-3
0.405
BEN-DND-1e24cf73-3
0.405
JOH-UNI-ee5ed7c8-11
0.405
JOH-UNI-3fc3434e-11
0.405
JIN-POS-6dc588a4-4
0.403
SAM-UNK-2684b532-12
0.403
JAN-GHE-5a013bed-2
0.403
EDG-MED-0da5ad92-18
0.400
ABI-SAT-4d06482b-2
0.400
EDJ-MED-c8e7a002-16
0.400
MAT-POS-199e2e7c-2
0.400
RUB-POS-1325a9ea-5
0.400
MAT-POS-bb423b95-8
0.400