Molecular Properties | |
SMILES: | CCCOc1cc(Cl)cc(-c2cc(=O)n(-c3cncc4ccccc34)cc2-c2c[nH]c(=O)[nH]c2=O)c1 |
MW: | 500.13 |
Fraction sp3: | 0.11 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 109.84 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-d6e5861b-3
0.827
DAR-DIA-d6e5861b-2
0.706
DAR-DIA-d6e5861b-8
0.673
DAR-DIA-d6e5861b-1
0.583
DAR-DIA-d6e5861b-7
0.564
DAR-DIA-d6e5861b-9
0.557
DAR-DIA-f6ee7aeb-5
0.480
DAR-DIA-d6e5861b-6
0.467
DAR-DIA-f6ee7aeb-4
0.397
DAR-DIA-d6e5861b-5
0.386
DAR-DIA-f6ee7aeb-3
0.375
VLA-UNK-792b5d03-1
0.348
DAR-DIA-5d6f1b43-8
0.347
DAR-DIA-0587064e-2
0.347
DAR-DIA-d6e5861b-10
0.344
VLA-UNK-792b5d03-3
0.343
DAR-DIA-f6ee7aeb-6
0.341
DAR-DIA-5d6f1b43-3
0.339
VLA-UNK-792b5d03-2
0.338
DAR-DIA-5d6f1b43-5
0.333
DAR-DIA-5d6f1b43-11
0.333
PET-UNK-94460c07-2
0.333
PET-UNK-e8933450-1
0.333
DAR-DIA-5d6f1b43-1
0.331
PET-UNK-94460c07-1
0.328
DAR-DIA-5d6f1b43-6
0.326
DAR-DIA-5d6f1b43-4
0.322
DAR-DIA-5d6f1b43-7
0.316
DAR-DIA-6be260fc-2
0.313
DAR-DIA-5d6f1b43-13
0.308
DAR-DIA-f6ee7aeb-2
0.303
PET-UNK-e8933450-2
0.299
ALP-UNI-dbb9503d-1
0.298
DAR-DIA-0f7b7cd9-4
0.295
EDJ-MED-24007d8a-1
0.295
DAR-DIA-b80f1cd7-10
0.293
PET-UNK-eeb64427-3
0.293
PET-UNK-eeb64427-6
0.293
DAR-DIA-6be260fc-3
0.292
MAT-POS-50a80394-5
0.292
EDJ-MED-8bb691af-1
0.291
ALP-POS-133e7cd9-1
0.290
MAT-POS-ddfe83c6-3
0.290
MAT-POS-ddfe83c6-5
0.290
ALP-UNI-dbb9503d-2
0.289
MAT-POS-ddfe83c6-2
0.288
EDJ-MED-cbbe2dbb-4
0.287
DAR-DIA-6be260fc-4
0.286
EDJ-MED-9f4ac58c-6
0.285
LUO-POS-868e8996-11
0.285
MAT-POS-c7726e07-5
0.285
MAT-POS-c7726e07-6
0.285
LUO-POS-868e8996-12
0.285
EDJ-MED-8bb691af-4
0.285
DAR-DIA-0f7b7cd9-5
0.285
DAR-DIA-53551c05-11
0.284
VLA-UNK-70dd90ef-2
0.283
EDJ-MED-96f6b92c-1
0.283
DAR-DIA-0587064e-4
0.283
VLA-MRT-8c78ee15-3
0.283
MAT-POS-ddfe83c6-4
0.283
ALP-UNI-58319883-1
0.283
PET-UNK-94036022-7
0.283
MAT-POS-50a80394-4
0.283
PET-UNK-94036022-14
0.283
VLA-MRT-a639d434-1
0.283
DAR-DIA-0f7b7cd9-9
0.282
MAT-UCL-e2ab2224-2
0.281
DAR-DIA-b80f1cd7-9
0.281
JOH-MSK-4bb3d434-1
0.281
EDJ-MED-0d144977-1
0.280
LUO-POS-5857a86a-3
0.280
ALP-POS-df536be7-4
0.279
VLA-UNK-70dd90ef-1
0.279
VLA-UNK-70dd90ef-3
0.279
MIC-UNK-eb20c3e1-1
0.279
JAG-UCB-f37eaa14-5
0.279
DAR-DIA-6be260fc-6
0.278
PET-UNK-7b413b46-1
0.278
BEN-DND-d1eb1f41-15
0.278
EDJ-MED-24007d8a-2
0.278
ALP-POS-ecbed2ba-6
0.278
PET-UNK-7b413b46-5
0.278
LUO-POS-f7b1afe6-3
0.277
PET-UNK-7a31b064-2
0.277
ALP-POS-ecbed2ba-3
0.277
EDJ-MED-fd8ed875-3
0.277
PET-UNK-eeb64427-2
0.277
VLA-UNK-5d8210f0-1
0.277
PET-UNK-eeb64427-5
0.277
PET-UNK-7b413b46-2
0.276
VLA-UCB-1dbca3b4-6
0.276
VLA-UCB-1dbca3b4-17
0.276
PET-UNK-7b413b46-6
0.276
PET-UNK-4dc48bbe-4
0.276
PET-UNK-4dc48bbe-6
0.276
VLA-UNK-db5e3064-2
0.276
VLA-UNK-db5e3064-1
0.276
PET-UNK-689df078-2
0.276
EDJ-MED-8bb691af-3
0.275