Molecular Properties | |
SMILES: | CC(C)(C)c1ccn(-c2cncc3ccccc23)c(=O)c1-c1cccc(Cl)c1 |
MW: | 388.13 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 34.89 |
cLogP: | 6.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-4
0.787
DAR-DIA-5d6f1b43-3
0.714
DAR-DIA-5d6f1b43-5
0.711
DAR-DIA-5d6f1b43-8
0.602
DAR-DIA-5d6f1b43-1
0.598
DAR-DIA-5d6f1b43-7
0.585
DAR-DIA-5d6f1b43-13
0.574
DAR-DIA-5d6f1b43-6
0.568
PET-UNK-94460c07-1
0.500
PET-UNK-e8933450-1
0.441
PET-UNK-94460c07-2
0.438
ALP-UNI-dbb9503d-1
0.436
PET-UNK-4dc48bbe-4
0.424
MAT-POS-8695a11f-1
0.419
MAT-POS-8695a11f-3
0.419
MAT-POS-d8472c4f-1
0.419
PET-UNK-7be94445-2
0.416
PET-UNK-7be94445-1
0.407
VLA-UCB-1dbca3b4-3
0.407
DAR-DIA-0f7b7cd9-4
0.404
ALP-UNI-dbb9503d-2
0.404
EDJ-MED-96f6b92c-1
0.398
MAT-POS-24589f88-14
0.396
BEN-DND-d1eb1f41-7
0.396
PET-UNK-689df078-4
0.396
DAR-DIA-0f7b7cd9-7
0.391
DAR-DIA-0f7b7cd9-6
0.391
MAT-UCL-e2ab2224-2
0.387
DAR-DIA-5d6f1b43-10
0.386
PET-UNK-c9c1e0d8-3
0.381
PET-UNK-4dc48bbe-6
0.379
VLA-UNK-db5e3064-2
0.379
VLA-UCB-1dbca3b4-6
0.379
PET-UNK-7b413b46-2
0.379
PET-UNK-7b413b46-6
0.379
VLA-UCB-1dbca3b4-17
0.379
EDG-MED-5d232de5-8
0.375
VLA-UCB-1dbca3b4-13
0.375
DAR-DIA-0f7b7cd9-5
0.375
EDG-MED-5d232de5-7
0.375
GIA-UNK-80c9bc96-1
0.375
PET-UNK-c9c1e0d8-4
0.375
VLA-UNK-db5e3064-1
0.374
PET-UNK-689df078-2
0.374
PET-UNK-431b3bfb-1
0.374
ALP-UNI-58319883-2
0.374
PET-UNK-689df078-3
0.371
PET-UNK-7a31b064-1
0.370
PET-UNK-194f9da3-2
0.369
DAR-DIA-b80f1cd7-1
0.367
DAR-DIA-d6e5861b-9
0.366
PET-UNK-abc197b8-1
0.364
VLA-UCB-1dbca3b4-10
0.364
VLA-UCB-1dbca3b4-18
0.364
PET-UNK-7b413b46-1
0.364
PET-UNK-7b413b46-5
0.364
PET-UNK-689df078-1
0.364
PET-UNK-7a31b064-2
0.359
MIC-UNK-0a05c952-2
0.359
DAR-DIA-53551c05-12
0.356
PET-UNK-7b413b46-4
0.356
PET-UNK-7b413b46-8
0.356
PET-UNK-5ddd54c7-2
0.356
PET-UNK-3e354a91-1
0.356
PET-UNK-5ddd54c7-1
0.356
DAR-DIA-b80f1cd7-2
0.353
DAR-DIA-5d6f1b43-12
0.353
PET-UNK-7b413b46-3
0.353
PET-UNK-7b413b46-7
0.353
DAR-DIA-5d6f1b43-2
0.351
MIC-UNK-0a05c952-1
0.350
MIC-UNK-d854bf4c-3
0.349
PET-UNK-194f9da3-1
0.346
MIC-UNK-d854bf4c-7
0.345
MIC-UNK-9582b2c5-3
0.345
MAT-POS-1f3f1a6f-5
0.344
DAR-DIA-5d6f1b43-33
0.343
MIC-UNK-9582b2c5-1
0.342
MAT-POS-a9372f04-1
0.340
MAT-UCL-e2ab2224-1
0.339
DAR-DIA-5d6f1b43-24
0.339
EDJ-MED-3707c4bc-2
0.339
DAR-DIA-5d6f1b43-9
0.337
JUL-TUD-06b2044f-112
0.337
VLA-UNK-70dd90ef-3
0.337
DAR-DIA-6be260fc-5
0.336
DAR-DIA-b80f1cd7-12
0.336
MIC-UNK-d854bf4c-1
0.336
ALP-POS-e0fe77e5-1
0.333
JAG-UCB-f37eaa14-3
0.333
DAR-DIA-d6e5861b-4
0.333
MIC-UNK-d854bf4c-5
0.333
ALP-UNI-3735e77e-1
0.333
DAR-DIA-0f7b7cd9-3
0.333
DAR-DIA-d6e5861b-2
0.333
EDJ-MED-8bb691af-7
0.330
DAR-DIA-b80f1cd7-5
0.330
DAR-DIA-b80f1cd7-6
0.330
DAR-DIA-b80f1cd7-13
0.330
VLA-UNK-83c3754c-2
0.330