Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(O)cc2ccccc12 |
MW: | 337.13 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 67.79 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
DAR-DIA-8e329c92-2
0.716
JOH-UNI-abfda500-3
0.716
MAT-POS-91829f0d-1
0.595
MAR-UCB-f313ec4d-2
0.595
DAR-DIA-8e329c92-1
0.561
MAT-POS-916a2c5a-2
0.561
MAT-POS-590ac91e-32
0.500
MAT-POS-590ac91e-42
0.494
MAT-POS-8fd29122-1
0.481
EDJ-MED-6af13d92-3
0.466
BEN-DND-7e92b6ca-1
0.463
EDJ-MED-6af13d92-1
0.451
EDJ-MED-6af13d92-2
0.451
MAT-POS-35d3f55a-2
0.444
PET-UNK-752bebd6-1
0.440
MAT-POS-54c4bf04-2
0.430
ERI-UCB-ce40166b-25
0.415
ALP-POS-05819dc4-1
0.396
ALP-POS-3fc1724e-1
0.396
EDJ-MED-bbe8e3da-4
0.380
MAR-UCB-f313ec4d-3
0.378
EDJ-MED-bbe8e3da-2
0.366
EDJ-MED-bbe8e3da-1
0.358
MAT-POS-35d3f55a-1
0.358
BEN-DND-7e92b6ca-2
0.347
MAT-UCB-70f7c0f7-1
0.337
DAR-DIA-8e329c92-6
0.333
MAR-UCB-f313ec4d-1
0.333
BEN-DND-7e92b6ca-5
0.330
EDJ-MED-edeb0d3a-2
0.327
MAT-POS-3b536971-1
0.327
EDJ-MED-bbe8e3da-3
0.324
VLA-UNK-eaa804fd-3
0.317
DAR-DIA-8e329c92-4
0.317
MAR-UCB-f313ec4d-4
0.316
DAR-DIA-9e4459de-23
0.309
MAT-UCB-70f7c0f7-2
0.309
DAR-DIA-9e4459de-22
0.307
DAR-DIA-9e4459de-21
0.307
MAT-POS-590ac91e-37
0.307
ALP-POS-fc6c627f-3
0.306
DAR-DIA-8e329c92-5
0.305
MAT-POS-590ac91e-43
0.304
DAR-DIA-8e329c92-8
0.304
NAU-LAT-a5c7d7cb-7
0.303
DAR-DIA-9e4459de-18
0.298
ERI-UCB-ce40166b-15
0.296
DAR-DIA-9e4459de-17
0.294
DAR-DIA-8e329c92-7
0.294
MAR-TRE-36bf7dba-46
0.292
DAR-DIA-9e4459de-19
0.290
MAT-POS-590ac91e-40
0.288
MAT-POS-590ac91e-41
0.288
DAR-DIA-9e4459de-20
0.288
BEN-DND-b89db3f2-4
0.287
DAR-DIA-9e4459de-24
0.286
ERI-UCB-ce40166b-13
0.284
UNK-UNK-2ede4078-34
0.283
ERI-UCB-ce40166b-14
0.282
ERI-UCB-ce40166b-16
0.282
MAT-POS-590ac91e-47
0.281
MAT-POS-590ac91e-46
0.281
ALP-POS-d7944b10-16
0.280
MAT-POS-590ac91e-53
0.278
KEI-TRE-fa9ada3e-3
0.276
MAR-TRE-92684b97-96
0.274
RED-RED-10c9212c-27
0.274
ERI-UCB-ce40166b-18
0.272
ERI-UCB-ce40166b-17
0.268
ALP-POS-3fc1724e-2
0.268
ADA-UCB-6c2cb422-8
0.268
NAU-LAT-0543f7f2-9
0.266
LOR-NOR-30067bb9-4
0.265
VLA-UNK-eaa804fd-1
0.265
MAT-POS-590ac91e-39
0.264
MAT-POS-590ac91e-38
0.264
ALP-POS-76eab5ce-2
0.263
ERI-UCB-ce40166b-19
0.263
VLA-UNK-eaa804fd-4
0.262
MAT-UCB-70f7c0f7-4
0.262
ADA-UCB-b1b30a00-2
0.262
EDJ-MED-edeb0d3a-1
0.262
BEN-DND-b89db3f2-5
0.262
ERI-UCB-ce40166b-20
0.261
STE-KUL-2e0d2e88-2
0.260
DAR-DIA-8e329c92-9
0.260
BAR-COM-5694a99d-2
0.255
MAR-TRE-e86a56b5-94
0.253
VLA-UNK-eaa804fd-2
0.252
DAR-DIA-8e329c92-10
0.250
ALV-UNI-7ff1a6f9-47
0.250
RAL-THA-2d450e86-39
0.250
MAT-UCB-70f7c0f7-3
0.250
BEN-DND-7e92b6ca-4
0.250
NAU-LAT-0543f7f2-10
0.248
ADA-UCB-6c2cb422-9
0.245
MAR-TRE-f5c2d31c-91
0.245
DAR-DIA-fb20be43-7
0.245
MAR-LAB-ca4662a6-6
0.245
MIC-UNK-b9827f26-4
0.243