Molecular Properties | |
SMILES: | O=C(NCCOc1cncc2cccnc12)C1CCc2cc(Cl)c(Cl)cc21 |
MW: | 401.07 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
JUL-TUD-06b2044f-40
0.486
JUL-TUD-06b2044f-41
0.413
JUL-TUD-06b2044f-2
0.375
JUL-TUD-06b2044f-23
0.375
JUL-TUD-ba2aea69-1
0.374
JUL-TUD-06b2044f-1
0.374
JUL-TUD-06b2044f-3
0.355
BEN-DND-a02b439d-3
0.306
BEN-DND-a02b439d-14
0.304
BEN-DND-34fc7f90-7
0.304
JUL-TUD-06b2044f-157
0.303
JUL-TUD-06b2044f-50
0.299
BEN-DND-34fc7f90-6
0.298
BEN-DND-34fc7f90-4
0.296
BEN-DND-a02b439d-15
0.296
BEN-DND-34fc7f90-5
0.296
BEN-DND-34fc7f90-8
0.296
MAT-POS-bb423b95-2
0.295
BEN-DND-34fc7f90-1
0.292
BEN-DND-34fc7f90-3
0.291
NAU-LAT-0543f7f2-10
0.289
BEN-DND-34fc7f90-2
0.287
ALF-EVA-b701bd13-5
0.284
BEN-DND-a02b439d-2
0.283
JUL-TUD-06b2044f-60
0.283
ALF-EVA-b701bd13-6
0.282
BEN-DND-a02b439d-1
0.281
ALP-UNI-3735e77e-4
0.278
MAT-POS-f9802937-8
0.278
MAT-POS-78e1d523-5
0.278
MAT-POS-78e1d523-6
0.278
MAT-POS-f9802937-9
0.278
DAR-DIA-06c53477-2
0.276
DAR-DIA-06c53477-3
0.276
DAR-DIA-06c53477-1
0.276
BEN-DND-a02b439d-10
0.275
VLA-UNK-eaa804fd-4
0.274
DAR-DIA-0587064e-13
0.274
BEN-DND-a02b439d-9
0.272
ALP-UNI-8d415491-3
0.272
MAT-POS-ec6d90b7-5
0.271
EDJ-MED-611d11e7-5
0.271
ALP-UNI-8d415491-6
0.271
BEN-DND-a02b439d-11
0.270
EDJ-MED-1b5395f9-4
0.270
EDJ-MED-1b5395f9-5
0.270
EDJ-MED-1b5395f9-6
0.270
JUL-TUD-06b2044f-44
0.270
WIL-UNI-2e73223c-4
0.270
DAR-DIA-0587064e-16
0.270
DAR-DIA-0587064e-21
0.269
MIC-UNK-8758c41d-1
0.267
MAT-POS-54c4bf04-2
0.267
EDJ-MED-611d11e7-11
0.267
ROB-UNI-6ee2df8c-1
0.267
JUL-TUD-06b2044f-5
0.267
ALP-UNI-8d415491-4
0.267
ADA-UCB-6c2cb422-2
0.266
DAR-DIA-0587064e-11
0.266
ALP-UNI-8d415491-2
0.265
BEN-DND-a02b439d-8
0.265
BEN-DND-f06bfa8e-6
0.265
DAR-DIA-0587064e-14
0.264
EDJ-MED-1b5395f9-1
0.264
EDJ-MED-1b5395f9-2
0.264
EDJ-MED-1b5395f9-3
0.264
ALF-EVA-b701bd13-4
0.263
RAL-THA-6e4c80cf-4
0.263
MAT-POS-96f51285-6
0.262
ALF-EVA-82cf4849-10
0.262
JUL-TUD-06b2044f-62
0.262
EDJ-MED-611d11e7-8
0.262
MAT-POS-ec6d90b7-6
0.262
DAR-DIA-0587064e-23
0.262
JUL-TUD-06b2044f-22
0.261
BEN-DND-a02b439d-7
0.261
ALF-EVA-82cf4849-9
0.261
MAT-POS-5369c344-5
0.260
BEN-DND-a02b439d-5
0.259
RYA-UNI-6d7114fd-1
0.259
RAL-THA-05e671eb-2
0.259
ALP-POS-869ac754-1
0.259
VLA-UNK-56836b69-4
0.259
BEN-DND-f06bfa8e-1
0.258
ALP-UNI-8d415491-1
0.257
MIC-UNK-91acba05-4
0.256
BEN-DND-a02b439d-4
0.256
ALP-POS-477dc5b7-1
0.256
ALF-EVA-82cf4849-6
0.256
MAT-POS-5369c344-4
0.256
DAR-DIA-0587064e-12
0.256
PET-UNK-b38839dc-17
0.256
DAR-DIA-0587064e-18
0.256
MAT-POS-5369c344-6
0.256
MAT-POS-35d3f55a-1
0.254
VLA-UNK-eaa804fd-1
0.254
PET-UNK-b1ef24dc-9
0.254
ALF-EVA-b701bd13-1
0.254
ALF-EVA-82cf4849-7
0.254
ALF-EVA-b701bd13-2
0.254