Molecular Properties | |
SMILES: | CNC(=O)COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OC)c12 |
MW: | 425.16 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 118.75 |
cLogP: | 1.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
EDJ-MED-6af13d92-3
EDJ-MED-6af13d92-3
0.785
EDJ-MED-bbe8e3da-2
0.724
EDJ-MED-bbe8e3da-1
0.677
VLA-UNK-eaa804fd-3
0.648
MAT-POS-3b536971-1
0.640
EDJ-MED-edeb0d3a-2
0.640
EDJ-MED-bbe8e3da-3
0.633
EDJ-MED-6af13d92-2
0.618
EDJ-MED-6af13d92-1
0.600
MAT-POS-916a2c5a-2
0.505
MAT-POS-590ac91e-42
0.465
MAT-POS-590ac91e-32
0.455
DAR-DIA-9e4459de-20
0.449
DAR-DIA-9e4459de-19
0.442
MAT-POS-35d3f55a-2
0.434
DAR-DIA-9e4459de-17
0.428
DAR-DIA-9e4459de-23
0.426
DAR-DIA-9e4459de-18
0.423
DAR-DIA-9e4459de-21
0.423
DAR-DIA-9e4459de-22
0.423
ALP-POS-05819dc4-1
0.417
ALP-POS-3fc1724e-1
0.417
EDJ-MED-edeb0d3a-3
0.413
DAR-DIA-9e4459de-24
0.406
BEN-DND-7e92b6ca-1
0.402
ALP-POS-bea7b391-3
0.391
ALP-POS-bea7b391-2
0.387
DAR-DIA-8e329c92-3
0.380
DAR-DIA-8e329c92-2
0.376
JOH-UNI-abfda500-3
0.376
MAT-UCB-70f7c0f7-1
0.373
MAT-POS-8fd29122-1
0.372
BEN-DND-7e92b6ca-5
0.371
MAT-POS-91829f0d-1
0.366
MAR-UCB-f313ec4d-2
0.366
EDJ-MED-d1cd9639-2
0.364
DAR-DIA-1a77c53a-1
0.361
DAR-DIA-8e329c92-1
0.359
MAT-POS-3b536971-2
0.358
ERI-UCB-ce40166b-25
0.355
DAR-DIA-1a77c53a-8
0.348
BEN-DND-7e92b6ca-2
0.346
ERI-UCB-ce40166b-15
0.345
DAR-DIA-1a77c53a-18
0.345
MAT-UCB-70f7c0f7-2
0.345
PET-UNK-752bebd6-1
0.343
NAU-LAT-a5c7d7cb-7
0.343
MAR-UCB-f313ec4d-4
0.343
DAR-DIA-1a77c53a-7
0.342
DAR-DIA-1a77c53a-14
0.342
DAR-DIA-1a77c53a-2
0.339
DAR-DIA-1a77c53a-9
0.339
ALP-POS-fc6c627f-1
0.339
DAR-DIA-1a77c53a-17
0.336
MAR-UCB-f313ec4d-1
0.333
DAR-DIA-8e329c92-6
0.333
DAR-DIA-1a77c53a-20
0.333
DAR-DIA-1a77c53a-10
0.331
DAR-DIA-1a77c53a-11
0.331
ALP-POS-fc6c627f-3
0.330
ERI-UCB-ce40166b-16
0.330
MAT-POS-590ac91e-53
0.325
DAR-DIA-1a77c53a-3
0.322
DAR-DIA-1a77c53a-4
0.322
DAR-DIA-1a77c53a-24
0.322
DAR-DIA-1a77c53a-19
0.322
ERI-UCB-ce40166b-19
0.322
ERI-UCB-ce40166b-13
0.322
MAT-POS-590ac91e-37
0.321
ERI-UCB-ce40166b-18
0.319
ERI-UCB-ce40166b-14
0.319
MAT-POS-590ac91e-43
0.318
DAR-DIA-8e329c92-4
0.318
DAR-DIA-1a77c53a-23
0.317
MAT-POS-590ac91e-46
0.317
MAT-POS-590ac91e-47
0.317
ERI-UCB-ce40166b-17
0.316
ALP-POS-3fc1724e-2
0.316
DAR-DIA-1a77c53a-12
0.315
DAR-DIA-1a77c53a-13
0.315
DAR-DIA-1a77c53a-5
0.312
DAR-DIA-1a77c53a-6
0.312
ERI-UCB-ce40166b-20
0.308
DAR-DIA-8e329c92-7
0.308
DAR-DIA-1a77c53a-16
0.307
DAR-DIA-8e329c92-5
0.307
MAT-POS-54c4bf04-2
0.306
BEN-DND-b89db3f2-4
0.304
DAR-DIA-8e329c92-10
0.303
DAR-DIA-1a77c53a-22
0.297
DAR-DIA-8e329c92-8
0.295
DAR-DIA-1a77c53a-15
0.295
DAR-DIA-1a77c53a-21
0.295
MAT-POS-35d3f55a-1
0.294
MAT-POS-590ac91e-41
0.292
MAT-POS-590ac91e-40
0.292
MAT-UCB-70f7c0f7-4
0.291
BEN-DND-b89db3f2-5
0.289
EDJ-MED-edeb0d3a-1
0.289
ADA-UCB-b1b30a00-2
0.289