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
MAT-POS-3b536971-1
0.484
EDJ-MED-edeb0d3a-2
0.484
BEN-DND-b89db3f2-4
0.471
MIC-UNK-b9827f26-4
0.436
DAR-DIA-8e329c92-3
0.430
JOH-UNI-abfda500-3
0.426
DAR-DIA-8e329c92-2
0.426
MAT-POS-3b92565d-1
0.411
MAT-POS-bbbbc21a-1
0.411
RAL-THA-2d450e86-29
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
DAR-DIA-8e329c92-1
0.378
MAT-POS-54c4bf04-3
0.375
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
ERI-UCB-d6de1f3c-7
0.356
ALP-POS-3fc1724e-1
0.356
RAL-THA-05e671eb-19
0.355
DAR-DIA-6a508060-4
0.355
MAT-POS-43fe65f4-1
0.355
EDJ-MED-e4b030d8-7
0.355
DAR-DIA-0587064e-16
0.354
VLA-UNK-58704097-1
0.353
EDJ-MED-bbe8e3da-3
0.352
MAT-POS-89e65850-3
0.350
EDJ-MED-6af13d92-2
0.350
MIC-UNK-b9827f26-5
0.349
VLA-UNK-9a7dc93f-7
0.347
MIC-UNK-c5a20098-3
0.346
DAR-DIA-0587064e-4
0.346
DAR-DIA-0587064e-17
0.345
RAL-THA-2d450e86-27
0.344
ALP-POS-3b848b35-1
0.343
RAL-THA-2d450e86-18
0.343
MAT-POS-3b92565d-2
0.343
ADA-UCB-6c2cb422-1
0.340
MIC-UNK-b9827f26-3
0.340
EDJ-MED-edeb0d3a-3
0.340
DAR-DIA-0587064e-12
0.339
ALP-POS-f13221e1-2
0.337
MIC-UNK-b9827f26-2
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
VLA-UCB-05e51b3f-17
0.333
RAL-THA-1d44ff04-3
0.333
PET-UNK-12d8d43f-2
0.333
RAL-THA-2d450e86-22
0.333
EDJ-MED-6af13d92-3
0.333
DAR-DIA-0587064e-2
0.333
MIC-UNK-25b9c114-1
0.330
DAR-DIA-076fb6ea-3
0.330
MIC-UNK-c5a20098-2
0.330
RAL-THA-1d44ff04-4
0.330
NAU-LAT-2fed8305-1
0.330
ALP-POS-f13221e1-3
0.330
NAU-LAT-4ce8bf23-2
0.327
MAT-POS-281d2ee9-1
0.327
RAL-THA-1d44ff04-6
0.327
IVS-FNM-f9a14d04-1
0.327
MAT-POS-fce787c2-1
0.327
PET-UNK-3c72d439-1
0.327
MAT-POS-bb423b95-7
0.327
RAL-THA-2d450e86-33
0.326
EDJ-MED-8c98ee63-1
0.325
EDJ-MED-28ec730d-1
0.325
LAU-MED-88a3970a-2
0.325
LAU-MED-88a3970a-1
0.325
DAR-DIA-0d514e7d-27
0.324
MIC-UNK-cdc2493e-22
0.324
EDJ-MED-6af13d92-1
0.324
MAT-POS-590ac91e-32
0.324
NAU-LAT-a5c7d7cb-8
0.324
RAL-THA-2d450e86-39
0.323
ERI-UCB-d6de1f3c-6
0.322
EDJ-MED-15e90dfc-3
0.322
ERI-UCB-d6de1f3c-5
0.322
EDJ-MED-424a8a89-1
0.322
EDJ-MED-6d9ff7d0-4
0.322
PET-UNK-824b5c6a-2
0.322
EDJ-MED-28ec730d-2
0.322
MIC-UNK-cdc2493e-24
0.321
NIR-WEI-acbd6416-1
0.321
NAU-LAT-4ce8bf23-1
0.321
NAU-LAT-a5c7d7cb-7
0.320
RAL-THA-1d44ff04-5
0.320
JOH-UNI-a38a7bdd-2
0.320
PET-UNK-8922bd3c-1
0.320