Molecular Properties | |
SMILES: | O=c1sn(-c2cncc3ccccc23)c(=O)n1-c1cccc(Cl)c1 |
MW: | 355.02 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 56.89 |
cLogP: | 3.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0f7b7cd9-4
0.556
DAR-DIA-0f7b7cd9-7
0.506
DAR-DIA-0f7b7cd9-3
0.494
PET-UNK-4dc48bbe-4
0.488
VLA-UCB-1dbca3b4-3
0.488
PET-UNK-7be94445-2
0.481
PET-UNK-7be94445-1
0.470
VLA-UCB-1dbca3b4-13
0.465
PET-UNK-94460c07-1
0.448
DAR-DIA-5d6f1b43-12
0.435
DAR-DIA-0f7b7cd9-5
0.432
PET-UNK-689df078-3
0.427
PET-UNK-7b413b46-6
0.420
DAR-DIA-5d6f1b43-9
0.420
PET-UNK-7b413b46-2
0.420
VLA-UCB-1dbca3b4-6
0.420
PET-UNK-7b413b46-3
0.419
PET-UNK-7b413b46-7
0.419
PET-UNK-689df078-1
0.418
VLA-UCB-1dbca3b4-10
0.418
MAT-POS-d8472c4f-1
0.416
MAT-POS-8695a11f-1
0.416
MAT-POS-8695a11f-3
0.416
DAR-DIA-5d6f1b43-10
0.411
DAR-DIA-5d6f1b43-5
0.409
PET-UNK-7b413b46-8
0.409
PET-UNK-7b413b46-4
0.409
PET-UNK-689df078-4
0.407
DAR-DIA-b80f1cd7-1
0.407
PET-UNK-e8933450-1
0.407
PET-UNK-4dc48bbe-6
0.404
VLA-UNK-db5e3064-2
0.404
DAR-DIA-5d6f1b43-1
0.404
VLA-UCB-1dbca3b4-17
0.404
DAR-DIA-5d6f1b43-14
0.404
PET-UNK-94460c07-2
0.404
PET-UNK-7b413b46-1
0.402
PET-UNK-7b413b46-5
0.402
VLA-UCB-1dbca3b4-18
0.402
PET-UNK-abc197b8-1
0.402
EDG-MED-5d232de5-7
0.400
DAR-DIA-5d6f1b43-3
0.400
GIA-UNK-80c9bc96-1
0.400
EDG-MED-5d232de5-8
0.400
DAR-DIA-5d6f1b43-15
0.400
PET-UNK-c9c1e0d8-4
0.400
ALP-UNI-58319883-2
0.398
PET-UNK-689df078-2
0.398
VLA-UNK-db5e3064-1
0.398
PET-UNK-431b3bfb-1
0.398
PET-UNK-b870596d-1
0.398
DAR-DIA-5d6f1b43-16
0.396
DAR-DIA-5d6f1b43-8
0.396
EDJ-MED-96f6b92c-1
0.394
MIC-UNK-9582b2c5-3
0.392
BEN-DND-d1eb1f41-7
0.391
MAT-POS-24589f88-14
0.391
DAR-DIA-5d6f1b43-4
0.391
DAR-DIA-5d6f1b43-11
0.391
PET-UNK-c9c1e0d8-3
0.391
DAR-DIA-b80f1cd7-2
0.389
ALP-UNI-dbb9503d-1
0.387
DAR-DIA-5d6f1b43-19
0.386
DAR-DIA-5d6f1b43-17
0.384
MAT-POS-54c4bf04-3
0.382
PET-UNK-5ddd54c7-2
0.379
PET-UNK-7a31b064-1
0.379
PET-UNK-3e354a91-1
0.379
MIC-UNK-d854bf4c-5
0.379
MIC-UNK-c5a20098-1
0.378
PET-UNK-5ddd54c7-1
0.378
DAR-DIA-5d6f1b43-2
0.375
PET-UNK-b870596d-2
0.374
ERI-UCB-d6de1f3c-2
0.372
ALP-UNI-dbb9503d-2
0.371
MIC-UNK-0a05c952-1
0.371
DAR-DIA-5d6f1b43-21
0.370
MIC-UNK-d854bf4c-1
0.369
VLA-UCB-1dbca3b4-12
0.369
MIC-UNK-0a05c952-2
0.367
PET-UNK-194f9da3-1
0.367
PET-UNK-7a31b064-2
0.367
MIC-UNK-d854bf4c-7
0.365
VLA-UNK-70dd90ef-2
0.365
VLA-UNK-cf7facf1-1
0.364
PET-UNK-194f9da3-2
0.364
VLA-UCB-34f3ed0c-11
0.364
VLA-UCB-29506327-1
0.364
ERI-UCB-d6de1f3c-7
0.361
VLA-UNK-70dd90ef-3
0.357
MIC-UNK-d854bf4c-3
0.356
DAR-DIA-f6ee7aeb-6
0.355
DAR-DIA-5d6f1b43-13
0.352
VLA-UNK-83c3754c-2
0.350
DAR-DIA-b80f1cd7-13
0.350
DAR-DIA-5d6f1b43-7
0.349
DAR-DIA-b80f1cd7-6
0.349
DAR-DIA-5d6f1b43-6
0.349
MIC-UNK-c5a20098-2
0.347
JOH-MSK-1f2dff76-3
0.347