Molecular Properties | |
SMILES: | COc1ccc(F)cc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OC)c12 |
MW: | 386.13 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 89.65 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
EDJ-MED-6af13d92-3
MAT-POS-3b536971-1
0.765
EDJ-MED-edeb0d3a-2
0.765
EDJ-MED-6af13d92-3
0.725
VLA-UNK-eaa804fd-3
0.711
EDJ-MED-bbe8e3da-2
0.652
EDJ-MED-bbe8e3da-4
0.633
EDJ-MED-6af13d92-2
0.602
EDJ-MED-bbe8e3da-1
0.594
EDJ-MED-6af13d92-1
0.549
ALP-POS-05819dc4-1
0.474
EDJ-MED-edeb0d3a-3
0.469
MAT-POS-590ac91e-32
0.469
MAT-POS-916a2c5a-2
0.442
MAT-POS-590ac91e-42
0.420
DAR-DIA-9e4459de-19
0.410
DAR-DIA-9e4459de-23
0.404
ALP-POS-3fc1724e-1
0.402
DAR-DIA-9e4459de-18
0.401
DAR-DIA-9e4459de-22
0.401
DAR-DIA-9e4459de-20
0.397
DAR-DIA-9e4459de-21
0.391
MAT-POS-35d3f55a-2
0.390
ALP-POS-bea7b391-3
0.389
DAR-DIA-9e4459de-17
0.386
ALP-POS-bea7b391-2
0.385
DAR-DIA-9e4459de-24
0.385
DAR-DIA-1a77c53a-1
0.385
MAT-POS-590ac91e-46
0.384
MAT-POS-590ac91e-47
0.384
EDJ-MED-d1cd9639-2
0.375
ALP-POS-fc6c627f-1
0.372
DAR-DIA-1a77c53a-16
0.370
MAT-POS-3b536971-2
0.369
BEN-DND-b89db3f2-4
0.368
DAR-DIA-1a77c53a-15
0.367
DAR-DIA-1a77c53a-18
0.366
DAR-DIA-1a77c53a-20
0.366
DAR-DIA-1a77c53a-3
0.365
DAR-DIA-1a77c53a-4
0.365
DAR-DIA-1a77c53a-7
0.364
DAR-DIA-1a77c53a-10
0.362
DAR-DIA-1a77c53a-11
0.362
DAR-DIA-1a77c53a-2
0.361
DAR-DIA-1a77c53a-22
0.358
MAT-UCB-70f7c0f7-1
0.358
DAR-DIA-1a77c53a-21
0.355
DAR-DIA-1a77c53a-19
0.353
DAR-DIA-1a77c53a-24
0.353
MAT-POS-54c4bf04-2
0.352
DAR-DIA-1a77c53a-9
0.348
DAR-DIA-1a77c53a-8
0.345
DAR-DIA-1a77c53a-17
0.345
MAT-POS-590ac91e-53
0.345
DAR-DIA-1a77c53a-12
0.345
DAR-DIA-1a77c53a-13
0.345
MAT-POS-590ac91e-37
0.343
DAR-DIA-1a77c53a-6
0.342
DAR-DIA-1a77c53a-5
0.342
BEN-DND-7e92b6ca-1
0.340
BEN-DND-7e92b6ca-5
0.340
VLA-UNK-eaa804fd-2
0.340
DAR-DIA-1a77c53a-14
0.339
DAR-DIA-1a77c53a-23
0.336
MAT-UCB-70f7c0f7-2
0.330
ERI-UCB-ce40166b-15
0.330
NAU-LAT-a5c7d7cb-7
0.327
MAT-POS-8fd29122-1
0.326
MAT-POS-590ac91e-39
0.324
MAT-POS-590ac91e-38
0.324
DAR-DIA-8e329c92-3
0.324
BEN-DND-b89db3f2-5
0.321
EDJ-MED-edeb0d3a-1
0.321
DAR-DIA-8e329c92-2
0.320
JOH-UNI-abfda500-3
0.320
ERI-UCB-ce40166b-19
0.319
ERI-UCB-ce40166b-14
0.316
ERI-UCB-ce40166b-16
0.316
ERI-UCB-ce40166b-25
0.315
VLA-UNK-eaa804fd-5
0.314
MAR-UCB-f313ec4d-4
0.314
MAT-POS-590ac91e-40
0.312
MAT-POS-590ac91e-41
0.312
MAT-POS-91829f0d-1
0.311
MAR-UCB-f313ec4d-2
0.311
ERI-UCB-ce40166b-13
0.307
DAR-DIA-8e329c92-6
0.306
ERI-UCB-ce40166b-18
0.305
ERI-UCB-ce40166b-20
0.305
DAR-DIA-8e329c92-1
0.305
BEN-DND-7e92b6ca-2
0.305
ALP-POS-fc6c627f-3
0.304
VLA-UNK-eaa804fd-1
0.302
PET-UNK-752bebd6-1
0.300
MAR-UCB-f313ec4d-1
0.292
MAT-POS-590ac91e-43
0.291
ERI-UCB-ce40166b-17
0.291
ALP-POS-3fc1724e-2
0.291
DAR-DIA-8e329c92-10
0.287
VLA-UNK-eaa804fd-4
0.287
MAT-POS-590ac91e-36
0.282