Molecular Properties | |
SMILES: | COc1ccccc1O[C@H]1CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12 |
MW: | 364.14 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.42 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-UCB-70f7c0f7-3
0.829
ADA-UCB-b1b30a00-2
0.829
DAR-DIA-8e329c92-4
0.557
ERI-UCB-a0b0dbcb-9
0.535
MAT-POS-916a2c5a-2
0.517
ERI-UCB-a0b0dbcb-6
0.516
DAR-DIA-8e329c92-6
0.511
DAR-DIA-8e329c92-5
0.500
DAR-DIA-8e329c92-7
0.480
MAR-UCB-f313ec4d-4
0.478
BEN-DND-7e92b6ca-2
0.467
DAR-DIA-8e329c92-8
0.456
ERI-UCB-a0b0dbcb-8
0.442
ALP-POS-05819dc4-1
0.438
ERI-UCB-a0b0dbcb-5
0.434
NAU-LAT-56d5284e-4
0.432
NAU-LAT-56d5284e-7
0.430
ALP-POS-bea7b391-1
0.429
DAR-DIA-8e329c92-10
0.426
ALP-POS-3fc1724e-1
0.423
BEN-DND-7e92b6ca-13
0.419
ERI-UCB-ce40166b-13
0.412
MAT-POS-54c4bf04-1
0.411
ERI-UCB-ce40166b-14
0.408
ALP-POS-fc6c627f-3
0.408
ADA-UCB-b1b30a00-1
0.406
BEN-DND-7e92b6ca-5
0.404
BEN-DND-b89db3f2-5
0.404
EDJ-MED-edeb0d3a-1
0.404
ALP-UNI-ed5cdfd2-7
0.402
BEN-DND-7e92b6ca-4
0.393
NAU-LAT-56d5284e-1
0.389
ALP-UNI-ed5cdfd2-4
0.389
MAT-UCB-70f7c0f7-1
0.388
BEN-DND-7e92b6ca-3
0.387
NAU-LAT-a5c7d7cb-7
0.385
KRI-MAR-d2e3ef86-15
0.385
ERI-UCB-ce40166b-15
0.385
DAR-DIA-8e329c92-9
0.383
MAT-POS-590ac91e-41
0.380
ERI-UCB-ce40166b-18
0.380
ALP-UNI-ed5cdfd2-6
0.378
ERI-UCB-ce40166b-17
0.377
MAT-POS-590ac91e-54
0.377
ALP-POS-3fc1724e-2
0.377
KRI-MAR-d2e3ef86-12
0.375
NAU-LAT-56d5284e-6
0.374
NAU-LAT-56d5284e-2
0.371
ALP-UNI-ed5cdfd2-5
0.371
MAT-POS-590ac91e-42
0.370
EDJ-MED-d1cd9639-1
0.366
MAT-POS-590ac91e-40
0.366
JAN-GHE-82a280f8-3
0.363
KRI-MAR-d2e3ef86-13
0.361
BEN-DND-7e92b6ca-11
0.361
MAR-UCB-f313ec4d-1
0.361
ALP-POS-ddb41b15-4
0.358
MAT-UCB-70f7c0f7-2
0.358
ALP-UNI-ed5cdfd2-8
0.357
NAU-LAT-56d5284e-3
0.356
ERI-UCB-ce40166b-16
0.355
MAR-UCB-f313ec4d-5
0.354
BEN-DND-7e92b6ca-12
0.354
MAT-POS-590ac91e-39
0.353
ADA-UCB-6c2cb422-8
0.352
NAU-LAT-56d5284e-8
0.350
ERI-UCB-d6de1f3c-8
0.350
VLA-UCB-eb340134-3
0.350
JAN-GHE-82a280f8-2
0.350
MAT-POS-590ac91e-32
0.347
ERI-UCB-ce40166b-19
0.345
VLA-UCB-eb340134-1
0.343
DAR-DIA-8e329c92-11
0.343
MAT-POS-590ac91e-43
0.343
MAT-POS-590ac91e-36
0.343
MAT-POS-590ac91e-35
0.343
BEN-DND-7e92b6ca-6
0.341
MAT-POS-590ac91e-38
0.340
ERI-UCB-a0b0dbcb-1
0.340
MAT-POS-590ac91e-44
0.340
ALP-POS-3fc1724e-4
0.339
BEN-DND-7e92b6ca-14
0.337
MAK-UNK-df1a028e-3
0.337
ERI-UCB-a0b0dbcb-2
0.337
ERI-UCB-a0b0dbcb-11
0.337
ERI-UCB-ce40166b-21
0.336
DAR-DIA-8e329c92-12
0.336
BEN-DND-7e92b6ca-15
0.333
DAR-DIA-8e329c92-13
0.333
MAT-POS-916a2c5a-4
0.330
EDJ-MED-78f964c8-1
0.330
MAT-POS-54c4bf04-4
0.327
VLA-UCB-eb340134-2
0.324
ERI-UCB-d6de1f3c-1
0.324
ADA-UCB-6c2cb422-11
0.321
MAT-POS-590ac91e-37
0.320
JAN-GHE-82a280f8-1
0.320
KRI-MAR-d2e3ef86-5
0.320
BEN-DND-7e92b6ca-10
0.320
BEN-DND-7e92b6ca-16
0.320