Molecular Properties | |
SMILES: | COc1cc2cncc(C(=O)NCc3cc(Cl)cc(Cl)c3)c2cc1OC |
MW: | 390.05 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 60.45 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-76eab5ce-2
0.393
MAT-POS-c20a539d-2
0.386
MAT-POS-54c4bf04-2
0.340
DAR-DIA-6a49afbe-2
0.323
PET-UNK-b38839dc-2
0.316
MAT-POS-29385cc1-2
0.312
MAT-POS-29385cc1-1
0.309
PET-UNK-b38839dc-1
0.309
MAT-POS-91829f0d-1
0.309
MAR-UCB-f313ec4d-2
0.309
RUB-POS-1325a9ea-10
0.308
RAL-THA-1d44ff04-6
0.306
RAL-THA-1d44ff04-3
0.299
MAT-POS-fce787c2-2
0.295
DAR-DIA-6a49afbe-12
0.293
MAT-POS-c20a539d-1
0.292
RAL-THA-6b94ceba-8
0.284
RAL-THA-2d450e86-18
0.281
ALP-POS-3b848b35-1
0.281
MAT-POS-3b92565d-2
0.281
JIN-POS-6dc588a4-3
0.278
RAL-THA-6b94ceba-5
0.277
PET-UNK-f4e47ebd-2
0.276
JIN-POS-6dc588a4-18
0.274
RUB-POS-1325a9ea-9
0.274
MIC-UNK-50cce87d-4
0.274
PET-UNK-7fb4f80a-4
0.269
DAR-DIA-0d514e7d-27
0.269
MAR-TRE-fd17a9b8-90
0.268
RAL-THA-1d44ff04-9
0.267
MAT-POS-3b92565d-1
0.265
RAL-THA-2d450e86-29
0.265
MAT-POS-bbbbc21a-1
0.265
PET-UNK-7fb4f80a-1
0.265
ALP-POS-d7944b10-16
0.264
MAT-POS-90fd5f68-41
0.263
DAR-DIA-0587064e-4
0.262
MAR-TRE-74c6519b-82
0.262
MIC-UNK-644c43c7-4
0.262
EDJ-MED-e4b030d8-7
0.262
RAL-THA-05e671eb-19
0.262
MAT-POS-43fe65f4-1
0.262
DAR-DIA-6a508060-4
0.262
PET-UNK-b38839dc-19
0.261
PET-UNK-b38839dc-20
0.261
RAL-THA-1d44ff04-5
0.260
MAT-POS-90fd5f68-2
0.260
PET-UNK-7fb4f80a-3
0.260
MAK-UNK-ffc90da7-3
0.259
MAT-POS-90fd5f68-15
0.259
PET-UNK-81b485b5-7
0.259
PET-UNK-81b485b5-21
0.259
DAR-DIA-6a49afbe-1
0.258
MAT-POS-90fd5f68-3
0.257
CHO-MSK-6e55470f-5
0.257
LON-WEI-9739a092-3
0.257
PET-UNK-f9b7ae87-8
0.257
PET-UNK-b38839dc-29
0.257
PET-UNK-b38839dc-28
0.257
PET-UNK-8df914d1-1
0.255
MIC-UNK-c5a20098-1
0.255
EDJ-MED-00c1612e-1
0.255
MAR-TRE-fd17a9b8-92
0.255
BAR-COM-0f94fc3d-30
0.255
PET-UNK-b87f07d0-1
0.255
JUL-TUD-06b2044f-69
0.255
MAT-POS-c20a539d-4
0.253
MIC-UNK-67d4a29a-4
0.253
MAT-POS-90fd5f68-13
0.252
DAR-DIA-0d514e7d-25
0.252
DAR-DIA-0d514e7d-26
0.252
ED_-GRI-5b13fbe2-9
0.252
MAT-POS-90fd5f68-8
0.250
PET-UNK-b38839dc-23
0.250
RAL-THA-1d44ff04-13
0.250
EDG-MED-0da5ad92-12
0.250
DAR-DIA-8e329c92-1
0.250
NAU-LAT-0543f7f2-9
0.250
ALF-EVA-0b412456-3
0.250
MIC-UNK-b9827f26-4
0.250
RAL-THA-2d450e86-14
0.250
ALF-EVA-0b412456-4
0.250
PET-UNK-f4e47ebd-1
0.250
RAL-THA-2d450e86-15
0.250
PET-UNK-b38839dc-22
0.250
ALF-EVA-0b412456-7
0.250
DAR-DIA-0587064e-2
0.250
ALF-EVA-0b412456-6
0.248
LON-WEI-9739a092-1
0.248
ALF-EVA-0b412456-2
0.248
MAK-UNK-ffc90da7-8
0.248
MIC-UNK-644c43c7-3
0.248
MAT-POS-90fd5f68-5
0.248
ALP-POS-6479a3a9-3
0.248
ALP-POS-d7944b10-1
0.248
MAT-POS-90fd5f68-6
0.248
JUL-TUD-06b2044f-129
0.248
MAT-POS-29385cc1-3
0.247
PET-UNK-bb7ffe78-1
0.247
MAT-POS-c20a539d-6
0.247