Molecular Properties | |
SMILES: | COc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12 |
MW: | 378.16 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.42 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-b1b30a00-2
0.895
MAT-UCB-70f7c0f7-4
0.829
DAR-DIA-8e329c92-4
0.543
ERI-UCB-a0b0dbcb-9
0.505
DAR-DIA-8e329c92-5
0.490
ERI-UCB-a0b0dbcb-6
0.490
MAT-POS-916a2c5a-2
0.489
DAR-DIA-8e329c92-6
0.484
DAR-DIA-8e329c92-7
0.471
MAR-UCB-f313ec4d-4
0.453
DAR-DIA-8e329c92-8
0.449
BEN-DND-7e92b6ca-2
0.427
ERI-UCB-a0b0dbcb-8
0.420
ALP-POS-05819dc4-1
0.416
ERI-UCB-a0b0dbcb-5
0.413
NAU-LAT-56d5284e-4
0.410
NAU-LAT-56d5284e-7
0.408
ALP-POS-bea7b391-1
0.408
DAR-DIA-8e329c92-10
0.404
ALP-POS-3fc1724e-1
0.402
BEN-DND-7e92b6ca-13
0.398
ERI-UCB-ce40166b-13
0.393
MAT-POS-54c4bf04-1
0.390
ALP-POS-fc6c627f-3
0.389
ERI-UCB-ce40166b-14
0.389
MAT-UCB-70f7c0f7-1
0.383
BEN-DND-7e92b6ca-5
0.383
ALP-UNI-ed5cdfd2-7
0.381
MAT-POS-590ac91e-54
0.373
ADA-UCB-b1b30a00-1
0.373
BEN-DND-7e92b6ca-4
0.372
BEN-DND-b89db3f2-5
0.371
EDJ-MED-edeb0d3a-1
0.371
ALP-UNI-ed5cdfd2-4
0.370
NAU-LAT-56d5284e-1
0.370
KRI-MAR-d2e3ef86-12
0.370
BEN-DND-7e92b6ca-3
0.367
ERI-UCB-ce40166b-15
0.367
NAU-LAT-a5c7d7cb-7
0.366
KRI-MAR-d2e3ef86-15
0.366
MAT-UCB-70f7c0f7-2
0.366
DAR-DIA-8e329c92-9
0.364
ERI-UCB-ce40166b-18
0.363
MAT-POS-590ac91e-41
0.362
ALP-POS-3fc1724e-2
0.360
ERI-UCB-ce40166b-17
0.360
JAN-GHE-82a280f8-3
0.358
BEN-DND-7e92b6ca-11
0.356
KRI-MAR-d2e3ef86-13
0.356
NAU-LAT-56d5284e-6
0.356
NAU-LAT-56d5284e-2
0.353
ALP-UNI-ed5cdfd2-5
0.353
MAT-POS-590ac91e-42
0.352
EDJ-MED-d1cd9639-1
0.349
MAT-POS-590ac91e-40
0.349
ADA-UCB-6c2cb422-8
0.348
ALP-UNI-ed5cdfd2-6
0.346
ERI-UCB-d6de1f3c-8
0.346
VLA-UCB-eb340134-3
0.346
DAR-DIA-8e329c92-12
0.345
MAR-UCB-f313ec4d-1
0.343
DAR-DIA-8e329c92-13
0.342
ALP-UNI-ed5cdfd2-8
0.340
NAU-LAT-56d5284e-3
0.340
ERI-UCB-ce40166b-16
0.339
BEN-DND-7e92b6ca-12
0.337
MAR-UCB-f313ec4d-5
0.337
MAT-POS-590ac91e-39
0.336
MAT-POS-590ac91e-44
0.336
ALP-POS-3fc1724e-4
0.336
ERI-UCB-a0b0dbcb-11
0.333
NAU-LAT-56d5284e-8
0.333
VLA-UCB-eb340134-2
0.333
JAN-GHE-82a280f8-2
0.333
ALP-POS-ddb41b15-4
0.330
MAT-POS-590ac91e-32
0.330
MAT-POS-590ac91e-36
0.327
MAT-POS-590ac91e-35
0.327
VLA-UCB-eb340134-1
0.327
DAR-DIA-8e329c92-11
0.327
BEN-DND-7e92b6ca-9
0.327
ERI-UCB-a0b0dbcb-1
0.324
MAT-POS-590ac91e-38
0.324
MAT-POS-54c4bf04-4
0.324
BEN-DND-7e92b6ca-6
0.323
ERI-UCB-ce40166b-21
0.321
MAK-UNK-df1a028e-3
0.320
ERI-UCB-a0b0dbcb-2
0.320
BEN-DND-7e92b6ca-14
0.320
ERI-UCB-ce40166b-19
0.319
ADA-UCB-6c2cb422-11
0.319
BEN-DND-7e92b6ca-15
0.317
MAT-POS-590ac91e-43
0.315
EDJ-MED-78f964c8-1
0.313
MAT-POS-916a2c5a-4
0.313
MAT-POS-916a2c5a-3
0.308
ERI-UCB-d6de1f3c-1
0.308
KRI-MAR-d2e3ef86-4
0.308
MAK-UNK-df1a028e-2
0.306
JAN-GHE-82a280f8-1
0.306