Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCNC(=O)c1cncc2ccccc12 |
MW: | 356.09 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 60.45 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAT-POS-91829f0d-1
0.705
MAR-UCB-f313ec4d-2
0.705
ALP-POS-05819dc4-1
0.549
ALP-POS-76eab5ce-2
0.530
MAT-POS-3b536971-1
0.484
EDJ-MED-edeb0d3a-2
0.484
BEN-DND-b89db3f2-4
0.471
ALP-POS-d7944b10-16
0.440
MIC-UNK-b9827f26-4
0.436
VLA-UNK-eaa804fd-1
0.432
DAR-DIA-8e329c92-3
0.430
DAR-DIA-8e329c92-2
0.426
JOH-UNI-abfda500-3
0.426
VLA-UNK-eaa804fd-2
0.417
RAL-THA-2d450e86-29
0.411
MAT-POS-bbbbc21a-1
0.411
MAT-POS-3b92565d-1
0.411
BEN-DND-b89db3f2-5
0.392
EDJ-MED-edeb0d3a-1
0.392
MAT-POS-590ac91e-42
0.386
NAU-LAT-0543f7f2-10
0.386
NAU-LAT-0543f7f2-9
0.381
ALF-EVA-a24cc7ce-6
0.379
DAR-DIA-8e329c92-1
0.378
MAT-POS-54c4bf04-3
0.375
UNK-UNK-2ede4078-34
0.374
ADA-UCB-dc2b944c-2
0.369
MIC-UNK-02d7a284-3
0.369
ERI-UCB-d6de1f3c-2
0.366
MAR-UCB-f313ec4d-3
0.365
MAT-POS-916a2c5a-2
0.364
MIC-UNK-c5a20098-1
0.357
ALP-POS-3fc1724e-1
0.356
ERI-UCB-d6de1f3c-7
0.356
ALP-POS-d7944b10-1
0.356
ALP-POS-6479a3a9-3
0.356
MAT-POS-43fe65f4-1
0.355
EDJ-MED-e4b030d8-7
0.355
DAR-DIA-6a508060-4
0.355
RAL-THA-05e671eb-19
0.355
DAR-DIA-0587064e-16
0.354
BEN-DND-d1eb1f41-4
0.354
VLA-UNK-58704097-1
0.353
EDJ-MED-bbe8e3da-3
0.352
DAR-DIA-6a49afbe-1
0.351
EDJ-MED-6af13d92-2
0.350
MAT-POS-89e65850-3
0.350
MIC-UNK-b9827f26-5
0.349
VLA-UNK-9a7dc93f-7
0.347
VLA-UNK-eaa804fd-3
0.346
DAR-DIA-0587064e-4
0.346
MIC-UNK-c5a20098-3
0.346
DAR-DIA-0587064e-17
0.345
PET-UNK-0cc03aae-1
0.345
RAL-THA-2d450e86-27
0.344
RAL-THA-2d450e86-18
0.343
MAT-POS-3b92565d-2
0.343
ALP-POS-3b848b35-1
0.343
ALP-POS-d7944b10-18
0.342
ADA-UCB-6c2cb422-1
0.340
JUL-TUD-06b2044f-80
0.340
EDJ-MED-edeb0d3a-3
0.340
MIC-UNK-b9827f26-3
0.340
DAR-DIA-0587064e-12
0.339
MAT-POS-5369c344-4
0.339
ALP-POS-f13221e1-2
0.337
MIC-UNK-b9827f26-2
0.337
ALP-POS-6479a3a9-2
0.337
MIC-UNK-bcd487e9-10
0.336
DAR-DIA-0d514e7d-2
0.336
DAR-DIA-0d514e7d-1
0.336
DAR-DIA-0587064e-13
0.336
RAL-THA-2d450e86-22
0.333
RAL-THA-1d44ff04-3
0.333
DAR-DIA-0587064e-2
0.333
VLA-UCB-05e51b3f-17
0.333
PET-UNK-3bb57da2-3
0.333
PET-UNK-12d8d43f-2
0.333
MIC-UNK-df9dcda8-4
0.333
UNK-UNK-2ede4078-104
0.333
EDJ-MED-6af13d92-3
0.333
MIC-UNK-25b9c114-1
0.330
ALP-POS-d7944b10-10
0.330
DAR-DIA-076fb6ea-3
0.330
MIC-UNK-c5a20098-2
0.330
RAL-THA-1d44ff04-4
0.330
ALP-POS-f13221e1-3
0.330
NAU-LAT-2fed8305-1
0.330
EDJ-MED-28b38b9b-2
0.328
PET-UNK-ad758083-3
0.328
RAL-THA-1d44ff04-6
0.327
NAU-LAT-4ce8bf23-2
0.327
IVS-FNM-f9a14d04-1
0.327
MAT-POS-281d2ee9-1
0.327
MAT-POS-fce787c2-1
0.327
MAT-POS-bb423b95-7
0.327
PET-UNK-3c72d439-1
0.327
DAR-DIA-6a49afbe-7
0.327
DAR-DIA-6a49afbe-8
0.327
RAL-THA-2d450e86-33
0.326