Molecular Properties | |
SMILES: | Cn1cc(-c2cccc(Cl)c2)c(=O)n(-c2cncc3ccccc23)c1=O |
MW: | 363.08 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 56.89 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
PET-UNK-94460c07-2
0.744
PET-UNK-e8933450-1
0.610
PET-UNK-94460c07-3
0.557
DAR-DIA-5d6f1b43-1
0.554
DAR-DIA-5d6f1b43-5
0.506
DAR-DIA-5d6f1b43-8
0.506
DAR-DIA-5d6f1b43-11
0.500
DAR-DIA-5d6f1b43-3
0.494
DAR-DIA-5d6f1b43-4
0.483
PET-UNK-94460c07-5
0.481
PET-UNK-4dc48bbe-4
0.466
DAR-DIA-5d6f1b43-7
0.455
DAR-DIA-0f7b7cd9-6
0.448
MAT-POS-24589f88-14
0.435
BEN-DND-d1eb1f41-7
0.435
PET-UNK-689df078-4
0.435
PET-UNK-94460c07-4
0.433
DAR-DIA-5d6f1b43-13
0.431
DAR-DIA-5d6f1b43-6
0.427
PET-UNK-e8933450-2
0.425
PET-UNK-7be94445-2
0.425
VLA-UCB-1dbca3b4-3
0.416
DAR-DIA-0f7b7cd9-7
0.416
PET-UNK-7be94445-1
0.416
ALP-UNI-dbb9503d-1
0.415
MAT-POS-d8472c4f-1
0.413
MAT-POS-8695a11f-3
0.413
MAT-POS-8695a11f-1
0.413
PET-UNK-689df078-3
0.409
PET-UNK-194f9da3-2
0.404
VLA-UCB-1dbca3b4-17
0.402
PET-UNK-4dc48bbe-6
0.402
PET-UNK-7b413b46-6
0.402
PET-UNK-7b413b46-2
0.402
VLA-UCB-1dbca3b4-6
0.402
DAR-DIA-5d6f1b43-14
0.402
DAR-DIA-0f7b7cd9-4
0.398
DAR-DIA-0f7b7cd9-5
0.398
VLA-UCB-1dbca3b4-13
0.398
PET-UNK-689df078-2
0.396
VLA-UNK-db5e3064-1
0.396
PET-UNK-7b413b46-4
0.392
EDJ-MED-96f6b92c-1
0.392
PET-UNK-7a31b064-1
0.392
PET-UNK-7b413b46-8
0.392
PET-UNK-c9c1e0d8-3
0.389
VLA-UNK-db5e3064-2
0.387
DAR-DIA-5d6f1b43-9
0.387
PET-UNK-7b413b46-1
0.385
PET-UNK-7b413b46-5
0.385
PET-UNK-689df078-1
0.385
VLA-UCB-1dbca3b4-10
0.385
ALP-UNI-dbb9503d-2
0.384
DAR-DIA-5d6f1b43-15
0.384
PET-UNK-c9c1e0d8-4
0.383
EDG-MED-5d232de5-8
0.383
GIA-UNK-80c9bc96-1
0.383
EDG-MED-5d232de5-7
0.383
ALP-UNI-58319883-2
0.381
PET-UNK-431b3bfb-1
0.381
PET-UNK-5ddd54c7-2
0.378
DAR-DIA-b80f1cd7-1
0.375
PET-UNK-7b413b46-3
0.374
PET-UNK-7b413b46-7
0.374
DAR-DIA-5d6f1b43-12
0.374
PET-UNK-94460c07-6
0.374
PET-UNK-b870596d-2
0.372
PET-UNK-abc197b8-1
0.371
VLA-UCB-1dbca3b4-18
0.371
MIC-UNK-0a05c952-1
0.370
DAR-DIA-5d6f1b43-17
0.369
PET-UNK-7a31b064-2
0.366
DAR-DIA-5d6f1b43-10
0.366
MIC-UNK-0a05c952-2
0.366
DAR-DIA-5d6f1b43-16
0.366
MIC-UNK-d854bf4c-7
0.364
VLA-UNK-70dd90ef-2
0.364
DAR-DIA-53551c05-12
0.364
PET-UNK-3e354a91-1
0.364
VLA-UCB-34f3ed0c-11
0.363
VLA-UCB-29506327-1
0.363
VLA-UNK-cf7facf1-1
0.363
PET-UNK-5ddd54c7-1
0.363
DAR-DIA-b80f1cd7-2
0.360
DAR-DIA-6be260fc-3
0.359
DAR-DIA-5d6f1b43-19
0.358
MAT-UCL-e2ab2224-2
0.355
MIC-UNK-d854bf4c-3
0.355
EDJ-MED-7587a9ee-1
0.355
MAT-POS-2e8b2191-8
0.355
EDJ-MED-8bb691af-9
0.354
PET-UNK-194f9da3-1
0.353
MIC-UNK-d854bf4c-5
0.352
PET-UNK-b870596d-1
0.351
MAT-POS-1f3f1a6f-5
0.351
EDJ-MED-fed7ac0b-4
0.351
VLA-UNK-83c3754c-2
0.350
DAR-DIA-b80f1cd7-13
0.349
DAR-DIA-5d6f1b43-33
0.349
MIC-UNK-9582b2c5-1
0.349