Molecular Properties | |
SMILES: | COc1ccccc1OCC(CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12 |
MW: | 394.19 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 80.42 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-8e329c92-4
0.675
DAR-DIA-8e329c92-8
0.670
DAR-DIA-8e329c92-5
0.663
DAR-DIA-8e329c92-7
0.633
MAT-POS-916a2c5a-2
0.614
MAT-POS-590ac91e-41
0.522
MAT-POS-590ac91e-40
0.522
MAT-UCB-70f7c0f7-4
0.511
BEN-DND-7e92b6ca-2
0.506
MAR-UCB-f313ec4d-4
0.500
MAT-UCB-70f7c0f7-3
0.484
ADA-UCB-b1b30a00-2
0.484
ALP-POS-05819dc4-1
0.474
ALP-POS-3fc1724e-1
0.458
ALP-POS-fc6c627f-3
0.455
BEN-DND-7e92b6ca-5
0.443
ERI-UCB-a0b0dbcb-9
0.441
MAR-UCB-f313ec4d-1
0.441
ADA-UCB-6c2cb422-8
0.437
MAT-POS-590ac91e-42
0.433
BEN-DND-7e92b6ca-4
0.432
DAR-DIA-8e329c92-10
0.432
ERI-UCB-a0b0dbcb-6
0.429
ADA-UCB-b1b30a00-1
0.427
MAT-POS-590ac91e-32
0.423
MAT-UCB-70f7c0f7-1
0.422
BEN-DND-7e92b6ca-3
0.409
NAU-LAT-a5c7d7cb-7
0.406
ERI-UCB-a0b0dbcb-8
0.404
MAT-POS-590ac91e-39
0.400
ERI-UCB-a0b0dbcb-5
0.398
BEN-DND-b89db3f2-5
0.396
EDJ-MED-edeb0d3a-1
0.396
BEN-DND-7e92b6ca-13
0.396
EDJ-MED-6af13d92-3
0.392
ERI-UCB-ce40166b-15
0.390
DAR-DIA-8e329c92-9
0.389
MAT-POS-590ac91e-38
0.386
ALP-UNI-ed5cdfd2-4
0.381
EDJ-MED-6af13d92-1
0.380
EDJ-MED-6af13d92-2
0.380
ALP-UNI-ed5cdfd2-7
0.379
KRI-MAR-d2e3ef86-15
0.378
ALP-UNI-ed5cdfd2-5
0.378
ERI-UCB-ce40166b-13
0.377
MAT-UCB-70f7c0f7-2
0.376
ERI-UCB-ce40166b-14
0.374
ERI-UCB-ce40166b-16
0.374
MAT-POS-54c4bf04-1
0.374
KRI-MAR-d2e3ef86-12
0.367
NAU-LAT-56d5284e-7
0.364
MAT-POS-590ac91e-43
0.363
DAR-DIA-8e329c92-11
0.363
ERI-UCB-ce40166b-25
0.363
ERI-UCB-ce40166b-18
0.360
ERI-UCB-ce40166b-20
0.360
ALP-POS-3fc1724e-2
0.358
ERI-UCB-ce40166b-17
0.358
ALP-UNI-ed5cdfd2-6
0.356
MAT-POS-590ac91e-37
0.353
NAU-LAT-56d5284e-6
0.353
NAU-LAT-56d5284e-4
0.353
ERI-UCB-ce40166b-19
0.351
ALP-UNI-ed5cdfd2-8
0.350
EDJ-MED-d1cd9639-1
0.346
ERI-UCB-a0b0dbcb-11
0.343
JAN-GHE-82a280f8-2
0.343
JAN-GHE-82a280f8-3
0.343
DAR-DIA-8e329c92-12
0.343
BEN-DND-7e92b6ca-11
0.340
KRI-MAR-d2e3ef86-13
0.340
NAU-LAT-56d5284e-1
0.340
ALP-POS-bea7b391-1
0.340
ADA-UCB-6c2cb422-10
0.339
ADA-UCB-6c2cb422-11
0.339
ALP-POS-ddb41b15-4
0.339
DAR-DIA-8e329c92-13
0.339
ALP-POS-3fc1724e-4
0.333
MAR-UCB-f313ec4d-5
0.333
BEN-DND-7e92b6ca-12
0.333
EDJ-MED-bbe8e3da-4
0.333
DAR-DIA-8e329c92-3
0.333
MAT-POS-35d3f55a-2
0.333
NAU-LAT-56d5284e-8
0.330
ERI-UCB-a0b0dbcb-12
0.330
DAR-DIA-8e329c92-2
0.330
LON-WEI-1908424e-9
0.330
JOH-UNI-abfda500-3
0.330
DAR-DIA-8e329c92-1
0.327
KRI-MAR-d2e3ef86-5
0.327
BEN-DND-7e92b6ca-10
0.327
BEN-DND-7e92b6ca-9
0.324
MAT-POS-e1b5ac6b-1
0.323
ROB-UNI-daaf9793-1
0.323
DAR-DIA-53551c05-22
0.323
BEN-DND-7e92b6ca-1
0.323
EDJ-MED-bbe8e3da-2
0.321
ERI-UCB-a0b0dbcb-1
0.321
KEI-TRE-fa9ada3e-3
0.321
BEN-DND-7e92b6ca-6
0.319