Molecular Properties | |
SMILES: | Cc1ccc2c(c1)SCCCN2C(=O)Cc1cncc2ccccc12 |
MW: | 348.13 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
JOH-UNI-ea1df7a8-1
0.490
MIC-UNK-a28eba03-3
0.456
MIC-UNK-a28eba03-2
0.453
MIC-UNK-a28eba03-4
0.443
MIC-UNK-a28eba03-1
0.419
ALP-POS-c3a96089-1
0.392
ALP-POS-c3a96089-2
0.371
DAR-DIA-23aa0b97-20
0.371
MIC-UNK-460e637d-1
0.368
JUL-TUD-06b2044f-52
0.358
MAK-UNK-b7886382-5
0.358
MIC-UNK-460e637d-2
0.358
DAR-DIA-6a49afbe-8
0.357
DAR-DIA-6a49afbe-6
0.356
MIC-UNK-460e637d-3
0.355
ALP-POS-25b4df59-1
0.352
ALP-POS-25b4df59-2
0.352
PET-UNK-8922bd3c-1
0.351
MAK-UNK-b7886382-3
0.350
DAR-DIA-6a49afbe-2
0.347
ALP-POS-64a710fa-2
0.346
NAU-LAT-a5c7d7cb-5
0.346
NAU-LAT-2fed8305-8
0.344
DAR-DIA-6a49afbe-9
0.344
DAR-DIA-6a49afbe-5
0.342
DAR-DIA-6a49afbe-1
0.340
DAR-DIA-23aa0b97-19
0.340
MAT-POS-173a45da-1
0.339
ALP-POS-64a710fa-1
0.336
DAR-DIA-6a49afbe-4
0.336
DAR-DIA-6a49afbe-3
0.333
DAR-DIA-6a508060-1
0.333
ERI-UCB-ce40166b-1
0.330
DAR-DIA-6a49afbe-12
0.330
DAR-DIA-6a49afbe-7
0.330
MAK-UNK-b7886382-4
0.327
DAR-DIA-6a49afbe-10
0.324
PET-UNK-1901c25b-1
0.324
MAK-UNK-b7886382-2
0.322
ALP-POS-b3306dea-1
0.321
ERI-UCB-ce40166b-2
0.319
DAR-DIA-6a49afbe-11
0.318
DAR-DIA-53551c05-10
0.317
ERI-UCB-ce40166b-5
0.316
MIC-UNK-d36ab305-3
0.315
NAU-LAT-a5c7d7cb-4
0.315
ALP-POS-75715966-2
0.315
ERI-UCB-ce40166b-4
0.315
MIC-UNK-d36ab305-6
0.315
ERI-UCB-ce40166b-9
0.313
DAR-DIA-53551c05-6
0.312
ALP-POS-7c6e02c7-1
0.310
ERI-UCB-ce40166b-6
0.308
ERI-UCB-ce40166b-8
0.306
ERI-UCB-ce40166b-10
0.305
MAT-POS-6344a35d-1
0.302
PET-UNK-55f647aa-2
0.301
ERI-UCB-ce40166b-3
0.301
PET-UNK-55f647aa-1
0.298
ALP-POS-c3a96089-4
0.297
MAT-POS-6c284e65-2
0.297
ERI-UCB-ce40166b-12
0.296
ALP-POS-7c6e02c7-3
0.294
ALP-POS-c3a96089-3
0.294
BAR-COM-0f94fc3d-47
0.294
MAT-POS-6c284e65-1
0.293
MIC-UNK-6ab519a7-1
0.291
NAU-LAT-a5c7d7cb-2
0.291
NIR-THE-590dedc7-1
0.291
MIC-UNK-5a93dd5f-10
0.291
ERI-UCB-ce40166b-7
0.291
MAK-UNK-b7886382-1
0.291
ALP-POS-6747fa38-1
0.290
BEN-DND-6de5dfa0-11
0.290
NAU-LAT-a5c7d7cb-1
0.290
VLA-UCB-05e51b3f-1
0.290
NIR-THE-d08c3b48-1
0.290
JOH-UNI-6e27fddc-8
0.289
JOH-UNI-6e27fddc-9
0.289
RAL-THA-2d450e86-3
0.289
NIR-WEI-acbd6416-1
0.288
RAL-THA-2d450e86-13
0.287
ALF-EVA-a24cc7ce-7
0.287
ALP-POS-7c6e02c7-2
0.287
RAL-THA-05e671eb-12
0.286
EDJ-MED-fed7ac0b-1
0.286
MAT-POS-54c4bf04-3
0.286
JUL-TUD-06b2044f-53
0.285
MIC-UNK-c66144cb-4
0.284
MAR-UCB-f313ec4d-6
0.283
MIC-UNK-c66144cb-6
0.282
EDJ-MED-33064c06-1
0.281
ERI-UCB-ce40166b-11
0.281
MIC-UNK-5a93dd5f-2
0.281
RAL-THA-2d450e86-8
0.279
NAU-LAT-a5c7d7cb-8
0.278
MAT-UCL-e2ab2224-1
0.277
RAL-THA-2d450e86-10
0.277
DAR-DIA-53551c05-12
0.277
EDJ-MED-28b38b9b-2
0.276